(6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one

C309H388Cl6N24O48S4 — CID 172953830

IUPAC(6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
SMILESCc1cc(C)c2c(c1)CC(=N/OCC(=O)N1CC=CCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N/OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N/OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)N1CC=CC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)N1CC=CC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)N1CC=CC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O
InChIInChI=1S/2C27H35ClN2O4.2C27H36N2O4.C26H32N2O4.2C25H31ClN2O4S.2C25H29ClN2O4.2C25H32N2O4S.C25H30N2O4/c2*1-19-16-20(2)26(28)23-17-22(30-34-18-24(31)29-21-12-9-7-10-13-21)14-8-5-3-4-6-11-15-33-27(32)25(19)23;2*1-20-16-21(2)26-22(17-20)18-24(14-8-5-3-4-6-11-15-32-27(26)31)29-33-19-25(30)28-23-12-9-7-10-13-23;1-20-16-21(2)25-22(17-20)18-23(12-8-5-3-4-6-11-15-31-26(25)30)27-32-19-24(29)28-13-9-7-10-14-28;2*1-18-15-19(2)24(26)21-16-20(27-32-17-22(29)28-10-13-33-14-11-28)9-7-5-3-4-6-8-12-31-25(30)23(18)21;2*1-18-15-19(2)24(26)21-16-20(27-32-17-22(29)28-12-8-9-13-28)11-7-5-3-4-6-10-14-31-25(30)23(18)21;2*1-19-15-20(2)24-21(16-19)17-22(9-7-5-3-4-6-8-12-30-25(24)29)26-31-18-23(28)27-10-13-32-14-11-27;1-19-15-20(2)24-21(16-19)17-22(26-31-18-23(28)27-12-8-9-13-27)11-7-5-3-4-6-10-14-30-25(24)29/h2*4,6,8,14,16,21H,3,5,7,9-13,15,17-18H2,1-2H3,(H,29,31);2*4,6,8,14,16-17,23H,3,5,7,9-13,15,18-19H2,1-2H3,(H,28,30);4,6-9,12,16-17H,3,5,10-11,13-15,18-19H2,1-2H3;2*4,6-7,9,15H,3,5,8,10-14,16-17H2,1-2H3;2*4,6-9,11,15H,3,5,10,12-14,16-17H2,1-2H3;2*4,6-7,9,15-16H,3,5,8,10-14,17-18H2,1-2H3;4,6-9,11,15-16H,3,5,10,12-14,17-18H2,1-2H3/b6-4+,14-8+,30-22+;6-4+,14-8+,30-22-;6-4+,14-8+,29-24+;6-4+,14-8+,29-24-;6-4+,12-8+,27-23+;6-4+,9-7+,27-20+;6-4+,9-7+,27-20-;6-4+,11-7+,27-20+;6-4+,11-7+,27-20-;6-4+,9-7+,26-22+;6-4+,9-7+,26-22-;6-4+,11-7+,26-22-
InChIKeyPMSAWYGTGSZIIR-PBDQAXSFSA-N
MW5547.61 g/mol
LogP58.06
Rot. Bonds40

About (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one

(6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one (PubChem CID 172953830) has the molecular formula C309H388Cl6N24O48S4 and a molecular weight of 5547.61 g/mol. Its IUPAC name is (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one.

Molecular Properties

Compound Name(6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
PubChem CID172953830
Molecular FormulaC309H388Cl6N24O48S4
Molecular Weight5547.61 g/mol
Exact Mass5540.57
IUPAC Name(6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
SMILESCc1cc(C)c2c(c1)CC(=N/OCC(=O)N1CC=CCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N/OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N/OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)N1CC=CC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)N1CC=CC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)N1CC=CC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O
InChIInChI=1S/2C27H35ClN2O4.2C27H36N2O4.C26H32N2O4.2C25H31ClN2O4S.2C25H29ClN2O4.2C25H32N2O4S.C25H30N2O4/c2*1-19-16-20(2)26(28)23-17-22(30-34-18-24(31)29-21-12-9-7-10-13-21)14-8-5-3-4-6-11-15-33-27(32)25(19)23;2*1-20-16-21(2)26-22(17-20)18-24(14-8-5-3-4-6-11-15-32-27(26)31)29-33-19-25(30)28-23-12-9-7-10-13-23;1-20-16-21(2)25-22(17-20)18-23(12-8-5-3-4-6-11-15-31-26(25)30)27-32-19-24(29)28-13-9-7-10-14-28;2*1-18-15-19(2)24(26)21-16-20(27-32-17-22(29)28-10-13-33-14-11-28)9-7-5-3-4-6-8-12-31-25(30)23(18)21;2*1-18-15-19(2)24(26)21-16-20(27-32-17-22(29)28-12-8-9-13-28)11-7-5-3-4-6-10-14-31-25(30)23(18)21;2*1-19-15-20(2)24-21(16-19)17-22(9-7-5-3-4-6-8-12-30-25(24)29)26-31-18-23(28)27-10-13-32-14-11-27;1-19-15-20(2)24-21(16-19)17-22(26-31-18-23(28)27-12-8-9-13-27)11-7-5-3-4-6-10-14-30-25(24)29/h2*4,6,8,14,16,21H,3,5,7,9-13,15,17-18H2,1-2H3,(H,29,31);2*4,6,8,14,16-17,23H,3,5,7,9-13,15,18-19H2,1-2H3,(H,28,30);4,6-9,12,16-17H,3,5,10-11,13-15,18-19H2,1-2H3;2*4,6-7,9,15H,3,5,8,10-14,16-17H2,1-2H3;2*4,6-9,11,15H,3,5,10,12-14,16-17H2,1-2H3;2*4,6-7,9,15-16H,3,5,8,10-14,17-18H2,1-2H3;4,6-9,11,15-16H,3,5,10,12-14,17-18H2,1-2H3/b6-4+,14-8+,30-22+;6-4+,14-8+,30-22-;6-4+,14-8+,29-24+;6-4+,14-8+,29-24-;6-4+,12-8+,27-23+;6-4+,9-7+,27-20+;6-4+,9-7+,27-20-;6-4+,11-7+,27-20+;6-4+,11-7+,27-20-;6-4+,9-7+,26-22+;6-4+,9-7+,26-22-;6-4+,11-7+,26-22-
InChIKeyPMSAWYGTGSZIIR-PBDQAXSFSA-N
XLogP58.06
TPSA853.56 Ų
H-Bond Donors4
H-Bond Acceptors64
Rotatable Bonds40
Heavy Atoms391
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005547.61
LogP ≤ 558.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1064

Analyze (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one with MolForge

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Related Compounds

(6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58373228
2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-(2-hydroxyethyl)acetamide;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperazin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
CID 172955309
(6E)-15-chloro-16,18-dimethyl-12-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 123199864
(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58373444
(6E,12Z)-15-chloro-16,18-dimethyl-12-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 123434854
(6E,12E)-16,18-dimethyl-12-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
CID 123675188
(6E,10E,12Z)-16,18-dimethyl-12-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
CID 58373409
2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-bis(2-methylpropyl)acetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-bis(2-methylpropyl)acetamide;2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-bis(2-methylpropyl)acetamide;2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N,N-bis(2-methylpropyl)acetamide
CID 158497062
(6E,10E,12E)-15,16,18-trimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
CID 58373410
2-[(E)-[(6E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxy-N-methylacetamide
CID 123630798
(6E,10E,12Z)-12-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
CID 58373243
(6E,10E,12E)-15-chloro-8,16,18-trimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58373226

Frequently Asked Questions

What is the IUPAC name of (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?
The IUPAC name of (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one (CID 172953830) is (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one.
What is the SMILES notation for (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?
The canonical SMILES for (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one is Cc1cc(C)c2c(c1)CC(=N/OCC(=O)N1CC=CCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N/OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N/OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)N1CC=CC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1)CC(=N\OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)N1CC=CC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)N1CC=CC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)N1CCSCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=N\OCC(=O)NC1CCCCC1)/C=C/CC/C=C/CCOC2=O.
What is the InChIKey of (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?
The InChIKey is PMSAWYGTGSZIIR-PBDQAXSFSA-N. The full InChI is InChI=1S/2C27H35ClN2O4.2C27H36N2O4.C26H32N2O4.2C25H31ClN2O4S.2C25H29ClN2O4.2C25H32N2O4S.C25H30N2O4/c2*1-19-16-20(2)26(28)23-17-22(30-34-18-24(31)29-21-12-9-7-10-13-21)14-8-5-3-4-6-11-15-33-27(32)25(19)23;2*1-20-16-21(2)26-22(17-20)18-24(14-8-5-3-4-6-11-15-32-27(26)31)29-33-19-25(30)28-23-12-9-7-10-13-23;1-20-16-21(2)25-22(17-20)18-23(12-8-5-3-4-6-11-15-31-26(25)30)27-32-19-24(29)28-13-9-7-10-14-28;2*1-18-15-19(2)24(26)21-16-20(27-32-17-22(29)28-10-13-33-14-11-28)9-7-5-3-4-6-8-12-31-25(30)23(18)21;2*1-18-15-19(2)24(26)21-16-20(27-32-17-22(29)28-12-8-9-13-28)11-7-5-3-4-6-10-14-31-25(30)23(18)21;2*1-19-15-20(2)24-21(16-19)17-22(9-7-5-3-4-6-8-12-30-25(24)29)26-31-18-23(28)27-10-13-32-14-11-27;1-19-15-20(2)24-21(16-19)17-22(26-31-18-23(28)27-12-8-9-13-27)11-7-5-3-4-6-10-14-30-25(24)29/h2*4,6,8,14,16,21H,3,5,7,9-13,15,17-18H2,1-2H3,(H,29,31);2*4,6,8,14,16-17,23H,3,5,7,9-13,15,18-19H2,1-2H3,(H,28,30);4,6-9,12,16-17H,3,5,10-11,13-15,18-19H2,1-2H3;2*4,6-7,9,15H,3,5,8,10-14,16-17H2,1-2H3;2*4,6-9,11,15H,3,5,10,12-14,16-17H2,1-2H3;2*4,6-7,9,15-16H,3,5,8,10-14,17-18H2,1-2H3;4,6-9,11,15-16H,3,5,10,12-14,17-18H2,1-2H3/b6-4+,14-8+,30-22+;6-4+,14-8+,30-22-;6-4+,14-8+,29-24+;6-4+,14-8+,29-24-;6-4+,12-8+,27-23+;6-4+,9-7+,27-20+;6-4+,9-7+,27-20-;6-4+,11-7+,27-20+;6-4+,11-7+,27-20-;6-4+,9-7+,26-22+;6-4+,9-7+,26-22-;6-4+,11-7+,26-22-.
What are the key properties of (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one?
(6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one has a molecular weight of 5547.61 g/mol, XLogP of 58.06, 40 rotatable bonds, 4 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,12Z)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;2-[(Z)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;2-[(E)-[(6E,10E)-15-chloro-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N-cyclohexylacetamide;(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;N-cyclohexyl-2-[(Z)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;N-cyclohexyl-2-[(E)-[(6E,10E)-16,18-dimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-12-ylidene]amino]oxyacetamide;(6E,10E,12Z)-12-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-12-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethoxy]imino-16,18-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12Z)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(6E,10E,12E)-16,18-dimethyl-12-(2-oxo-2-thiomorpholin-4-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one is sourced from PubChem (CID 172953830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).