28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one

C130H100N32O21S6 — CID 161194799

IUPAC28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one
SMILESCOc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)CCC(=O)NCc1cncc(c1)-c1cnc3sc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cc(ccn1)-c1ccnc3ccc-2cc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cnc3ccc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnn3ccc-2nc13
InChIInChI=1S/C28H21N5O4S.C26H21N7O5S2.C26H20N6O4S.2C25H19N7O4S/c1-37-28-26-14-20(15-32-28)17-5-6-25-24(13-17)23(8-10-30-25)18-7-9-29-21(11-18)16-31-27(34)19-3-2-4-22(12-19)38(35,36)33-26;1-38-24-20-9-18(13-29-24)25-31-33-21(14-30-26(33)39-25)17-7-15(10-27-12-17)11-28-23(35)6-5-22(34)16-3-2-4-19(8-16)40(36,37)32-20;1-36-26-22-12-19(14-29-26)21-8-9-24-27-15-23(32(24)30-21)17-5-2-4-16(10-17)13-28-25(33)18-6-3-7-20(11-18)37(34,35)31-22;1-36-25-21-9-17(13-29-25)20-5-6-23-27-14-22(32(23)30-20)18-7-15(10-26-12-18)11-28-24(33)16-3-2-4-19(8-16)37(34,35)31-21;1-36-25-22-9-18(13-28-25)21-5-6-32-23(30-21)20(14-29-32)17-7-15(10-26-12-17)11-27-24(33)16-3-2-4-19(8-16)37(34,35)31-22/h2-15,33H,16H2,1H3,(H,31,34);2-4,7-10,12-14,32H,5-6,11H2,1H3,(H,28,35);2-12,14-15,31H,13H2,1H3,(H,28,33);2-10,12-14,31H,11H2,1H3,(H,28,33);2-10,12-14,31H,11H2,1H3,(H,27,33)
InChIKeyUUEWCQUQUZNLPV-UHFFFAOYSA-N
MW2638.83 g/mol
LogP17.05
Rot. Bonds5

About 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one

28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one (PubChem CID 161194799) has the molecular formula C130H100N32O21S6 and a molecular weight of 2638.83 g/mol. Its IUPAC name is 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one.

Molecular Properties

Compound Name28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one
PubChem CID161194799
Molecular FormulaC130H100N32O21S6
Molecular Weight2638.83 g/mol
Exact Mass2636.61
IUPAC Name28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one
SMILESCOc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)CCC(=O)NCc1cncc(c1)-c1cnc3sc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cc(ccn1)-c1ccnc3ccc-2cc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cnc3ccc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnn3ccc-2nc13
InChIInChI=1S/C28H21N5O4S.C26H21N7O5S2.C26H20N6O4S.2C25H19N7O4S/c1-37-28-26-14-20(15-32-28)17-5-6-25-24(13-17)23(8-10-30-25)18-7-9-29-21(11-18)16-31-27(34)19-3-2-4-22(12-19)38(35,36)33-26;1-38-24-20-9-18(13-29-24)25-31-33-21(14-30-26(33)39-25)17-7-15(10-27-12-17)11-28-23(35)6-5-22(34)16-3-2-4-19(8-16)40(36,37)32-20;1-36-26-22-12-19(14-29-26)21-8-9-24-27-15-23(32(24)30-21)17-5-2-4-16(10-17)13-28-25(33)18-6-3-7-20(11-18)37(34,35)31-22;1-36-25-21-9-17(13-29-25)20-5-6-23-27-14-22(32(23)30-20)18-7-15(10-26-12-18)11-28-24(33)16-3-2-4-19(8-16)37(34,35)31-21;1-36-25-22-9-18(13-28-25)21-5-6-32-23(30-21)20(14-29-32)17-7-15(10-26-12-17)11-27-24(33)16-3-2-4-19(8-16)37(34,35)31-22/h2-15,33H,16H2,1H3,(H,31,34);2-4,7-10,12-14,32H,5-6,11H2,1H3,(H,28,35);2-12,14-15,31H,13H2,1H3,(H,28,33);2-10,12-14,31H,11H2,1H3,(H,28,33);2-10,12-14,31H,11H2,1H3,(H,27,33)
InChIKeyUUEWCQUQUZNLPV-UHFFFAOYSA-N
XLogP17.05
TPSA689.23 Ų
H-Bond Donors10
H-Bond Acceptors44
Rotatable Bonds5
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002638.83
LogP ≤ 517.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1044

Analyze 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one with MolForge

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Launch Full Analysis

Related Compounds

CID 159024846
CID 159024846
10,12-difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,24,25,28-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;24-methoxy-21,21-dioxo-3,21lambda6-dithia-6,8,10,14,22,25-hexazapentacyclo[21.3.1.12,5.116,20.04,9]nonacosa-1(27),2(29),4,6,8,16(28),17,19,23,25-decaen-15-one;(14R)-26-methoxy-23,23-dioxo-13-oxa-3,23lambda6-dithia-6,8,10,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,18(30),19,21,25,27-decaen-17-one;25-methoxy-22,22-dioxo-30-oxa-3,22lambda6-dithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one;25-methoxy-31-methyl-22,22-dioxo-3,22lambda6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one
CID 157569975
CID 158104185
CID 158104185
26-Methoxy-23,23-dioxo-3,23lambda6-dithia-6,8,12,13,16,24,27-heptazahexacyclo[23.3.1.12,5.110,13.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10(31),11,18(30),19,21,25,27-dodecaen-17-one;13-methoxy-16,16-dioxo-8,16lambda6-dithia-1,5,12,15,23-pentazahexacyclo[23.2.2.16,9.110,14.117,21.02,7]dotriaconta-2(7),3,5,9(32),10(31),11,13,17,19,21(30)-decaen-22-one;26-methoxy-23,23-dioxo-23lambda6,32-dithia-6,8,16,24,27-pentazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15lambda6-thia-5,8,16,19,26,28-hexazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;13-methoxy-16,16-dioxo-16lambda6-thia-5,12,15,23-tetrazaheptacyclo[21.5.3.26,9.110,14.117,21.02,7.026,30]pentatriaconta-1(29),2(7),3,5,8,10(33),11,13,17,19,21(32),26(30),27,34-tetradecae
CID 158443037
N-[5-[5-(4,4-dimethyl-6,7-dihydropyrano[4,3-d][1,3]thiazol-2-yl)-3-pyridinyl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;5-(5-indazol-1-yl-2-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(5-indazol-1-yl-6-methoxy-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-(5-indazol-1-yl-3-pyridinyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;N-[5-[6-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-pyridinyl]-2-(4-methylphenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-[4-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-pyridinyl]-1-benzofuran-3-carboxamide
CID 158490828
26-Methoxy-23,23-dioxo-23lambda6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15lambda6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15lambda6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14lambda6-thia-2,7,15,25,27-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(27),9(31),10,12,16,18,20(30),21(29),22,24(2
CID 158541086
19-Fluoro-26-methoxy-23,23-dioxo-3,23lambda6-dithia-6,12,16,24,27-pentazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4(9),5,7,10,12,14(31),18,20,22(30),25,27-tridecaen-17-one;26-methoxy-23,23-dioxo-3,23lambda6-dithia-6,12,16,24,27-pentazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;26-methoxy-23,23-dioxo-7-propan-2-yl-3,23lambda6-dithia-6,8,12,13,24,27-hexazahexacyclo[23.3.1.12,5.110,13.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10(31),11,18(30),19,21,25,27-dodecaen-17-one;26-methoxy-23,23-dioxo-7-propan-2-yl-3,23lambda6-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one
CID 158811028
CID 158826505
CID 158826505
1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;N-[8-[2-[2-(methanesulfonamido)ethoxy]ethoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methyl 4-[4-morpholin-4-yl-6-[4-(2-oxobutyl)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 158961067
25-Methoxy-22,22-dioxo-22lambda6,31-dithia-3,4,6,23,26-pentazahexacyclo[22.3.1.12,5.19,13.117,21.04,8]hentriaconta-1(28),2,5,7,9,11,13(30),17(29),18,20,24,26-dodecaen-16-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,24,25,28-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;18-methoxy-15,15-dioxo-15lambda6-thia-4,5,8,16,19,26-hexazahexacyclo[20.6.2.12,5.110,14.117,21.025,29]tritriaconta-1(29),2(33),3,10(32),11,13,17,19,21(31),22(30),23,25,27-tridecaen-9-one;18-methoxy-15,15-dioxo-15lambda6-thia-4,5,8,16,19,26,28,29-octazahexacyclo[20.5.2.12,5.110,14.117,21.025,28]dotriaconta-1(27),2(32),3,10(31),11,13,17,19,21(30),22(29),23,25-dodecaen-9-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,26-pentazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,25(29),26-tridecae
CID 159614631
8,8-dioxo-8lambda6-thia-4,7,15,24,25,28-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2,6(32),9,11,13(31),17(30),18,20,22(29),23,26-dodecaene-5,14-dione;18-fluoro-25-methoxy-22,22-dioxo-3,22lambda6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;(14S)-26-methoxy-23,23-dioxo-3,23lambda6-dithia-6,8,10,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,18(30),19,21,25,27-decaen-17-one;(14R)-26-methoxy-23,23-dioxo-3,23lambda6-dithia-6,8,10,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,18(30),19,21,25,27-decaen-17-one;26-methoxy-23,23-dioxo-23lambda6-thia-6,12,16,24,27-pentazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one
CID 159721640
26-Methoxy-23,23-dioxo-23lambda6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15lambda6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15lambda6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14lambda6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,2
CID 159899978

Frequently Asked Questions

What is the IUPAC name of 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one?
The IUPAC name of 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one (CID 161194799) is 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one.
What is the SMILES notation for 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one?
The canonical SMILES for 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one is COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)CCC(=O)NCc1cncc(c1)-c1cnc3sc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cc(ccn1)-c1ccnc3ccc-2cc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1cnc3ccc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnn3ccc-2nc13.
What is the InChIKey of 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one?
The InChIKey is UUEWCQUQUZNLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N5O4S.C26H21N7O5S2.C26H20N6O4S.2C25H19N7O4S/c1-37-28-26-14-20(15-32-28)17-5-6-25-24(13-17)23(8-10-30-25)18-7-9-29-21(11-18)16-31-27(34)19-3-2-4-22(12-19)38(35,36)33-26;1-38-24-20-9-18(13-29-24)25-31-33-21(14-30-26(33)39-25)17-7-15(10-27-12-17)11-28-23(35)6-5-22(34)16-3-2-4-19(8-16)40(36,37)32-20;1-36-26-22-12-19(14-29-26)21-8-9-24-27-15-23(32(24)30-21)17-5-2-4-16(10-17)13-28-25(33)18-6-3-7-20(11-18)37(34,35)31-22;1-36-25-21-9-17(13-29-25)20-5-6-23-27-14-22(32(23)30-20)18-7-15(10-26-12-18)11-28-24(33)16-3-2-4-19(8-16)37(34,35)31-21;1-36-25-22-9-18(13-28-25)21-5-6-32-23(30-21)20(14-29-32)17-7-15(10-26-12-17)11-27-24(33)16-3-2-4-19(8-16)37(34,35)31-22/h2-15,33H,16H2,1H3,(H,31,34);2-4,7-10,12-14,32H,5-6,11H2,1H3,(H,28,35);2-12,14-15,31H,13H2,1H3,(H,28,33);2-10,12-14,31H,11H2,1H3,(H,28,33);2-10,12-14,31H,11H2,1H3,(H,27,33).
What are the key properties of 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one?
28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one has a molecular weight of 2638.83 g/mol, XLogP of 17.05, 5 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 28-methoxy-25,25-dioxo-25λ6,34-dithia-3,4,6,11,15,26,29-heptazahexacyclo[25.3.1.12,5.19,13.120,24.04,8]tetratriaconta-1(31),2,5,7,9,11,13(33),20(32),21,23,27,29-dodecaene-16,19-dione;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,25,28-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,24,28,29-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,18,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17,19,21(31),22(30),23,25,27-tetradecaen-14-one is sourced from PubChem (CID 161194799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).