19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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

C157H187N21O20S4 — CID 160880377

IUPAC19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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
SMILESCN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OCc3ccccc3)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCCC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)NC3CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(c1ccccn1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C42H49N5O5S.C40H46N6O5S.C38H47N5O5S.C37H45N5O5S/c1-44(2)53(50,51)43-40(48)29-14-18-34-37(20-29)46-26-42(41(49)47-30-15-16-31(47)24-45(3)23-30)22-36(42)35-21-32(52-25-27-10-6-4-7-11-27)17-19-33(35)39(46)38(34)28-12-8-5-9-13-28;1-43(2)52(49,50)42-38(47)26-12-16-31-34(19-26)45-24-40(39(48)46-27-13-14-28(46)23-44(22-27)35-11-7-8-18-41-35)21-33(40)32-20-29(51-3)15-17-30(32)37(45)36(31)25-9-5-4-6-10-25;1-40-21-26-11-12-27(22-40)43(26)37(45)38-20-32(38)31-19-28(48-2)13-15-29(31)35-34(24-8-4-3-5-9-24)30-14-10-25(18-33(30)42(35)23-38)36(44)39-49(46,47)41-16-6-7-17-41;1-40-19-25-11-12-26(20-40)42(25)36(44)37-18-31(37)30-17-27(47-2)13-15-28(30)34-33(22-6-4-3-5-7-22)29-14-8-23(16-32(29)41(34)21-37)35(43)39-48(45,46)38-24-9-10-24/h4,6-7,10-11,14,17-21,28,30-31,36H,5,8-9,12-13,15-16,22-26H2,1-3H3,(H,43,48);7-8,11-12,15-20,25,27-28,33H,4-6,9-10,13-14,21-24H2,1-3H3,(H,42,47);10,13-15,18-19,24,26-27,32H,3-9,11-12,16-17,20-23H2,1-2H3,(H,39,44);8,13-17,22,24-26,31,38H,3-7,9-12,18-21H2,1-2H3,(H,39,43)
InChIKeySMYKAVLIPKYYFS-UHFFFAOYSA-N
MW2816.62 g/mol
LogP22.04
Rot. Bonds28

About 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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

19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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 (PubChem CID 160880377) has the molecular formula C157H187N21O20S4 and a molecular weight of 2816.62 g/mol. Its IUPAC name is 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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.

Molecular Properties

Compound Name19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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
PubChem CID160880377
Molecular FormulaC157H187N21O20S4
Molecular Weight2816.62 g/mol
Exact Mass2814.31
IUPAC Name19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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
SMILESCN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OCc3ccccc3)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCCC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)NC3CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(c1ccccn1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C42H49N5O5S.C40H46N6O5S.C38H47N5O5S.C37H45N5O5S/c1-44(2)53(50,51)43-40(48)29-14-18-34-37(20-29)46-26-42(41(49)47-30-15-16-31(47)24-45(3)23-30)22-36(42)35-21-32(52-25-27-10-6-4-7-11-27)17-19-33(35)39(46)38(34)28-12-8-5-9-13-28;1-43(2)52(49,50)42-38(47)26-12-16-31-34(19-26)45-24-40(39(48)46-27-13-14-28(46)23-44(22-27)35-11-7-8-18-41-35)21-33(40)32-20-29(51-3)15-17-30(32)37(45)36(31)25-9-5-4-6-10-25;1-40-21-26-11-12-27(22-40)43(26)37(45)38-20-32(38)31-19-28(48-2)13-15-29(31)35-34(24-8-4-3-5-9-24)30-14-10-25(18-33(30)42(35)23-38)36(44)39-49(46,47)41-16-6-7-17-41;1-40-19-25-11-12-26(20-40)42(25)36(44)37-18-31(37)30-17-27(47-2)13-15-28(30)34-33(22-6-4-3-5-7-22)29-14-8-23(16-32(29)41(34)21-37)35(43)39-48(45,46)38-24-9-10-24/h4,6-7,10-11,14,17-21,28,30-31,36H,5,8-9,12-13,15-16,22-26H2,1-3H3,(H,43,48);7-8,11-12,15-20,25,27-28,33H,4-6,9-10,13-14,21-24H2,1-3H3,(H,42,47);10,13-15,18-19,24,26-27,32H,3-9,11-12,16-17,20-23H2,1-2H3,(H,39,44);8,13-17,22,24-26,31,38H,3-7,9-12,18-21H2,1-2H3,(H,39,43)
InChIKeySMYKAVLIPKYYFS-UHFFFAOYSA-N
XLogP22.04
TPSA438.44 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002816.62
LogP ≤ 522.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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?
The IUPAC name of 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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 160880377) is 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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.
What is the SMILES notation for 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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?
The canonical SMILES for 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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 is CN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OCc3ccccc3)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCCC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)NC3CC3)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(c1ccccn1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.
What is the InChIKey of 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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?
The InChIKey is SMYKAVLIPKYYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H49N5O5S.C40H46N6O5S.C38H47N5O5S.C37H45N5O5S/c1-44(2)53(50,51)43-40(48)29-14-18-34-37(20-29)46-26-42(41(49)47-30-15-16-31(47)24-45(3)23-30)22-36(42)35-21-32(52-25-27-10-6-4-7-11-27)17-19-33(35)39(46)38(34)28-12-8-5-9-13-28;1-43(2)52(49,50)42-38(47)26-12-16-31-34(19-26)45-24-40(39(48)46-27-13-14-28(46)23-44(22-27)35-11-7-8-18-41-35)21-33(40)32-20-29(51-3)15-17-30(32)37(45)36(31)25-9-5-4-6-10-25;1-40-21-26-11-12-27(22-40)43(26)37(45)38-20-32(38)31-19-28(48-2)13-15-29(31)35-34(24-8-4-3-5-9-24)30-14-10-25(18-33(30)42(35)23-38)36(44)39-49(46,47)41-16-6-7-17-41;1-40-19-25-11-12-26(20-40)42(25)36(44)37-18-31(37)30-17-27(47-2)13-15-28(30)34-33(22-6-4-3-5-7-22)29-14-8-23(16-32(29)41(34)21-37)35(43)39-48(45,46)38-24-9-10-24/h4,6-7,10-11,14,17-21,28,30-31,36H,5,8-9,12-13,15-16,22-26H2,1-3H3,(H,43,48);7-8,11-12,15-20,25,27-28,33H,4-6,9-10,13-14,21-24H2,1-3H3,(H,42,47);10,13-15,18-19,24,26-27,32H,3-9,11-12,16-17,20-23H2,1-2H3,(H,39,44);8,13-17,22,24-26,31,38H,3-7,9-12,18-21H2,1-2H3,(H,39,43).
What are the key properties of 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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?
19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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 has a molecular weight of 2816.62 g/mol, XLogP of 22.04, 28 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-N-(cyclopropylsulfamoyl)-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;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-pyridin-2-yl-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;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-5-phenylmethoxy-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-pyrrolidin-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 is sourced from PubChem (CID 160880377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).