17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol

C179H213F2N9O17 — CID 161189837

IUPAC17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
SMILESCCC1(C)CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C31.CCC1CC2CC3c4oc5cc(F)c(C)cc5c4CCN(C2)C13.CCC1CC2CC3c4oc5cc(F)c(O)cc5c4CCN(C2)C13.CCC1CC2CC3c4oc5cc(O)ccc5c4CCN(C2)C13.CCC1CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C13.CCCC1(C)CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C31.CCCC1CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C13.Oc1ccc2oc3c(c2c1)CCN1CC2CC(Cc4ccccc4)C1C3C2.Oc1ccc2oc3c(c2c1)CCN1CC2CCC1C3C2
InChIInChI=1S/C24H25NO2.C21H27NO2.C20H24FNO.2C20H25NO2.C19H22FNO2.2C19H23NO2.C17H19NO2/c26-18-6-7-22-20(13-18)19-8-9-25-14-16-11-17(10-15-4-2-1-3-5-15)23(25)21(12-16)24(19)27-22;1-3-7-21(2)11-13-9-17-19-15(6-8-22(12-13)20(17)21)16-10-14(23)4-5-18(16)24-19;1-3-13-7-12-8-16-19(13)22(10-12)5-4-14-15-6-11(2)17(21)9-18(15)23-20(14)16;1-3-20(2)10-12-8-16-18-14(6-7-21(11-12)19(16)20)15-9-13(22)4-5-17(15)23-18;1-2-3-13-8-12-9-17-19(13)21(11-12)7-6-15-16-10-14(22)4-5-18(16)23-20(15)17;1-2-11-5-10-6-14-18(11)21(9-10)4-3-12-13-7-16(22)15(20)8-17(13)23-19(12)14;1-2-12-7-11-8-16-18(12)20(10-11)6-5-14-15-9-13(21)3-4-17(15)22-19(14)16;1-2-12-7-11-8-16-18(12)20(10-11)6-5-15-14-4-3-13(21)9-17(14)22-19(15)16;19-11-2-4-16-13(8-11)12-5-6-18-9-10-1-3-15(18)14(7-10)17(12)20-16/h1-7,13,16-17,21,23,26H,8-12,14H2;4-5,10,13,17,20,23H,3,6-9,11-12H2,1-2H3;6,9,12-13,16,19H,3-5,7-8,10H2,1-2H3;4-5,9,12,16,19,22H,3,6-8,10-11H2,1-2H3;4-5,10,12-13,17,19,22H,2-3,6-9,11H2,1H3;7-8,10-11,14,18,22H,2-6,9H2,1H3;2*3-4,9,11-12,16,18,21H,2,5-8,10H2,1H3;2,4,8,10,14-15,19H,1,3,5-7,9H2
InChIKeyUTOLSVFNGHXEOJ-UHFFFAOYSA-N
MW2800.71 g/mol
LogP37.72
Rot. Bonds11

About 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol

17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol (PubChem CID 161189837) has the molecular formula C179H213F2N9O17 and a molecular weight of 2800.71 g/mol. Its IUPAC name is 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol.

Molecular Properties

Compound Name17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
PubChem CID161189837
Molecular FormulaC179H213F2N9O17
Molecular Weight2800.71 g/mol
Exact Mass2798.60
IUPAC Name17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
SMILESCCC1(C)CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C31.CCC1CC2CC3c4oc5cc(F)c(C)cc5c4CCN(C2)C13.CCC1CC2CC3c4oc5cc(F)c(O)cc5c4CCN(C2)C13.CCC1CC2CC3c4oc5cc(O)ccc5c4CCN(C2)C13.CCC1CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C13.CCCC1(C)CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C31.CCCC1CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C13.Oc1ccc2oc3c(c2c1)CCN1CC2CC(Cc4ccccc4)C1C3C2.Oc1ccc2oc3c(c2c1)CCN1CC2CCC1C3C2
InChIInChI=1S/C24H25NO2.C21H27NO2.C20H24FNO.2C20H25NO2.C19H22FNO2.2C19H23NO2.C17H19NO2/c26-18-6-7-22-20(13-18)19-8-9-25-14-16-11-17(10-15-4-2-1-3-5-15)23(25)21(12-16)24(19)27-22;1-3-7-21(2)11-13-9-17-19-15(6-8-22(12-13)20(17)21)16-10-14(23)4-5-18(16)24-19;1-3-13-7-12-8-16-19(13)22(10-12)5-4-14-15-6-11(2)17(21)9-18(15)23-20(14)16;1-3-20(2)10-12-8-16-18-14(6-7-21(11-12)19(16)20)15-9-13(22)4-5-17(15)23-18;1-2-3-13-8-12-9-17-19(13)21(11-12)7-6-15-16-10-14(22)4-5-18(16)23-20(15)17;1-2-11-5-10-6-14-18(11)21(9-10)4-3-12-13-7-16(22)15(20)8-17(13)23-19(12)14;1-2-12-7-11-8-16-18(12)20(10-11)6-5-14-15-9-13(21)3-4-17(15)22-19(14)16;1-2-12-7-11-8-16-18(12)20(10-11)6-5-15-14-4-3-13(21)9-17(14)22-19(15)16;19-11-2-4-16-13(8-11)12-5-6-18-9-10-1-3-15(18)14(7-10)17(12)20-16/h1-7,13,16-17,21,23,26H,8-12,14H2;4-5,10,13,17,20,23H,3,6-9,11-12H2,1-2H3;6,9,12-13,16,19H,3-5,7-8,10H2,1-2H3;4-5,9,12,16,19,22H,3,6-8,10-11H2,1-2H3;4-5,10,12-13,17,19,22H,2-3,6-9,11H2,1H3;7-8,10-11,14,18,22H,2-6,9H2,1H3;2*3-4,9,11-12,16,18,21H,2,5-8,10H2,1H3;2,4,8,10,14-15,19H,1,3,5-7,9H2
InChIKeyUTOLSVFNGHXEOJ-UHFFFAOYSA-N
XLogP37.72
TPSA309.26 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds11
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002800.71
LogP ≤ 537.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol?
The IUPAC name of 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol (CID 161189837) is 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol.
What is the SMILES notation for 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol?
The canonical SMILES for 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol is CCC1(C)CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C31.CCC1CC2CC3c4oc5cc(F)c(C)cc5c4CCN(C2)C13.CCC1CC2CC3c4oc5cc(F)c(O)cc5c4CCN(C2)C13.CCC1CC2CC3c4oc5cc(O)ccc5c4CCN(C2)C13.CCC1CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C13.CCCC1(C)CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C31.CCCC1CC2CC3c4oc5ccc(O)cc5c4CCN(C2)C13.Oc1ccc2oc3c(c2c1)CCN1CC2CC(Cc4ccccc4)C1C3C2.Oc1ccc2oc3c(c2c1)CCN1CC2CCC1C3C2.
What is the InChIKey of 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol?
The InChIKey is UTOLSVFNGHXEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2.C21H27NO2.C20H24FNO.2C20H25NO2.C19H22FNO2.2C19H23NO2.C17H19NO2/c26-18-6-7-22-20(13-18)19-8-9-25-14-16-11-17(10-15-4-2-1-3-5-15)23(25)21(12-16)24(19)27-22;1-3-7-21(2)11-13-9-17-19-15(6-8-22(12-13)20(17)21)16-10-14(23)4-5-18(16)24-19;1-3-13-7-12-8-16-19(13)22(10-12)5-4-14-15-6-11(2)17(21)9-18(15)23-20(14)16;1-3-20(2)10-12-8-16-18-14(6-7-21(11-12)19(16)20)15-9-13(22)4-5-17(15)23-18;1-2-3-13-8-12-9-17-19(13)21(11-12)7-6-15-16-10-14(22)4-5-18(16)23-20(15)17;1-2-11-5-10-6-14-18(11)21(9-10)4-3-12-13-7-16(22)15(20)8-17(13)23-19(12)14;1-2-12-7-11-8-16-18(12)20(10-11)6-5-14-15-9-13(21)3-4-17(15)22-19(14)16;1-2-12-7-11-8-16-18(12)20(10-11)6-5-15-14-4-3-13(21)9-17(14)22-19(15)16;19-11-2-4-16-13(8-11)12-5-6-18-9-10-1-3-15(18)14(7-10)17(12)20-16/h1-7,13,16-17,21,23,26H,8-12,14H2;4-5,10,13,17,20,23H,3,6-9,11-12H2,1-2H3;6,9,12-13,16,19H,3-5,7-8,10H2,1-2H3;4-5,9,12,16,19,22H,3,6-8,10-11H2,1-2H3;4-5,10,12-13,17,19,22H,2-3,6-9,11H2,1H3;7-8,10-11,14,18,22H,2-6,9H2,1H3;2*3-4,9,11-12,16,18,21H,2,5-8,10H2,1H3;2,4,8,10,14-15,19H,1,3,5-7,9H2.
What are the key properties of 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol?
17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol has a molecular weight of 2800.71 g/mol, XLogP of 37.72, 11 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 17-benzyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-6-fluoro-7-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;17-ethyl-6-fluoro-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-7-ol;17-ethyl-17-methyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-6-ol;17-ethyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-methyl-17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol;17-propyl-3-oxa-13-azapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol is sourced from PubChem (CID 161189837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).