10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

C118H153N15O16S3 — CID 157408171

IUPAC10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(NCCN(C)C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(O)(C(C)(C)C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCN(C)CC3)cc21
InChIInChI=1S/C40H54N6O5S.C40H52N4O6S.C38H47N5O5S/c1-43(2)18-17-41-27-20-28-12-13-29(21-27)46(28)39(48)40-23-34(40)33-22-30(51-5)14-16-31(33)37-36(25-9-7-6-8-10-25)32-15-11-26(19-35(32)45(37)24-40)38(47)42-52(49,50)44(3)4;1-38(2,3)40(47)20-26-13-14-27(21-40)44(26)37(46)39-22-32(39)31-19-28(50-6)15-17-29(31)35-34(24-10-8-7-9-11-24)30-16-12-25(18-33(30)43(35)23-39)36(45)41-51(48,49)42(4)5;1-40-16-18-41(19-17-40)49(46,47)39-36(44)25-8-14-30-33(20-25)42-23-38(37(45)43-26-9-10-27(43)12-11-26)22-32(38)31-21-28(48-2)13-15-29(31)35(42)34(30)24-6-4-3-5-7-24/h11,14-16,19,22,25,27-29,34,41H,6-10,12-13,17-18,20-21,23-24H2,1-5H3,(H,42,47);12,15-19,24,26-27,32,47H,7-11,13-14,20-23H2,1-6H3,(H,41,45);8,13-15,20-21,24,26-27,32H,3-7,9-12,16-19,22-23H2,1-2H3,(H,39,44)
InChIKeyBNYSTESCCWZZDI-UHFFFAOYSA-N
MW2133.81 g/mol
LogP16.61
Rot. Bonds22

About 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (PubChem CID 157408171) has the molecular formula C118H153N15O16S3 and a molecular weight of 2133.81 g/mol. Its IUPAC name is 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

Molecular Properties

Compound Name10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
PubChem CID157408171
Molecular FormulaC118H153N15O16S3
Molecular Weight2133.81 g/mol
Exact Mass2132.08
IUPAC Name10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(NCCN(C)C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(O)(C(C)(C)C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCN(C)CC3)cc21
InChIInChI=1S/C40H54N6O5S.C40H52N4O6S.C38H47N5O5S/c1-43(2)18-17-41-27-20-28-12-13-29(21-27)46(28)39(48)40-23-34(40)33-22-30(51-5)14-16-31(33)37-36(25-9-7-6-8-10-25)32-15-11-26(19-35(32)45(37)24-40)38(47)42-52(49,50)44(3)4;1-38(2,3)40(47)20-26-13-14-27(21-40)44(26)37(46)39-22-32(39)31-19-28(50-6)15-17-29(31)35-34(24-10-8-7-9-11-24)30-16-12-25(18-33(30)43(35)23-39)36(45)41-51(48,49)42(4)5;1-40-16-18-41(19-17-40)49(46,47)39-36(44)25-8-14-30-33(20-25)42-23-38(37(45)43-26-9-10-27(43)12-11-26)22-32(38)31-21-28(48-2)13-15-29(31)35(42)34(30)24-6-4-3-5-7-24/h11,14-16,19,22,25,27-29,34,41H,6-10,12-13,17-18,20-21,23-24H2,1-5H3,(H,42,47);12,15-19,24,26-27,32,47H,7-11,13-14,20-23H2,1-6H3,(H,41,45);8,13-15,20-21,24,26-27,32H,3-7,9-12,16-19,22-23H2,1-2H3,(H,39,44)
InChIKeyBNYSTESCCWZZDI-UHFFFAOYSA-N
XLogP16.61
TPSA341.59 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002133.81
LogP ≤ 516.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide with MolForge

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Related Compounds

(8R,10S)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 59837564
N-(azetidin-1-ylsulfonyl)-19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 42641492
19-cyclohexyl-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
CID 25014739
19-cyclohexyl-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-piperidin-1-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25151194
19-cyclohexyl-5-methoxy-10-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25019519
(8S,10R)-19-cyclohexyl-10-(2,5-diethylpyrrolidine-1-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 126513472
19-cyclohexyl-10-[3-(dimethylcarbamoyl)-3,6-diazabicyclo[3.1.1]heptane-6-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 75276945
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(5-methyl-2,5-diazabicyclo[2.2.2]octane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 57404066
10-(4-acetyl-1,4-diazepane-1-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25015603
19-cyclohexyl-10-(C,N-dimethylcarbonimidoyl)-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 145476121
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 58558464
19-cyclohexyl-5-methoxy-10-(4-methylpiperazine-1-carbonyl)-N-morpholin-4-ylsulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 71146857

Frequently Asked Questions

What is the IUPAC name of 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The IUPAC name of 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (CID 157408171) is 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.
What is the SMILES notation for 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The canonical SMILES for 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(NCCN(C)C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(O)(C(C)(C)C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCN(C)CC3)cc21.
What is the InChIKey of 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The InChIKey is BNYSTESCCWZZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H54N6O5S.C40H52N4O6S.C38H47N5O5S/c1-43(2)18-17-41-27-20-28-12-13-29(21-27)46(28)39(48)40-23-34(40)33-22-30(51-5)14-16-31(33)37-36(25-9-7-6-8-10-25)32-15-11-26(19-35(32)45(37)24-40)38(47)42-52(49,50)44(3)4;1-38(2,3)40(47)20-26-13-14-27(21-40)44(26)37(46)39-22-32(39)31-19-28(50-6)15-17-29(31)35-34(24-10-8-7-9-11-24)30-16-12-25(18-33(30)43(35)23-39)36(45)41-51(48,49)42(4)5;1-40-16-18-41(19-17-40)49(46,47)39-36(44)25-8-14-30-33(20-25)42-23-38(37(45)43-26-9-10-27(43)12-11-26)22-32(38)31-21-28(48-2)13-15-29(31)35(42)34(30)24-6-4-3-5-7-24/h11,14-16,19,22,25,27-29,34,41H,6-10,12-13,17-18,20-21,23-24H2,1-5H3,(H,42,47);12,15-19,24,26-27,32,47H,7-11,13-14,20-23H2,1-6H3,(H,41,45);8,13-15,20-21,24,26-27,32H,3-7,9-12,16-19,22-23H2,1-2H3,(H,39,44).
What are the key properties of 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide has a molecular weight of 2133.81 g/mol, XLogP of 16.61, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-19-cyclohexyl-5-methoxy-N-(4-methylpiperazin-1-yl)sulfonyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;10-(3-tert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-[3-[2-(dimethylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is sourced from PubChem (CID 157408171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).