10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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

C146H182N20O21S4 — CID 158126908

IUPAC10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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
SMILESCCN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C(C)=O)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C(C)C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(N)(=O)=O)cc21
InChIInChI=1S/C38H49N5O5S.C37H45N5O6S.C37H47N5O5S.C34H41N5O5S/c1-23(2)41-20-26-12-13-27(21-41)43(26)37(45)38-19-32(38)31-18-28(48-5)14-16-29(31)35-34(24-9-7-6-8-10-24)30-15-11-25(17-33(30)42(35)22-38)36(44)39-49(46,47)40(3)4;1-22(43)40-19-25-11-12-26(20-40)42(25)36(45)37-18-31(37)30-17-27(48-4)13-15-28(30)34-33(23-8-6-5-7-9-23)29-14-10-24(16-32(29)41(34)21-37)35(44)38-49(46,47)39(2)3;1-5-40-20-25-12-13-26(21-40)42(25)36(44)37-19-31(37)30-18-27(47-4)14-16-28(30)34-33(23-9-7-6-8-10-23)29-15-11-24(17-32(29)41(34)22-37)35(43)38-48(45,46)39(2)3;1-37-17-22-9-10-23(18-37)39(22)33(41)34-16-28(34)27-15-24(44-2)11-13-25(27)31-30(20-6-4-3-5-7-20)26-12-8-21(14-29(26)38(31)19-34)32(40)36-45(35,42)43/h11,14-18,23-24,26-27,32H,6-10,12-13,19-22H2,1-5H3,(H,39,44);10,13-17,23,25-26,31H,5-9,11-12,18-21H2,1-4H3,(H,38,44);11,14-18,23,25-26,31H,5-10,12-13,19-22H2,1-4H3,(H,38,43);8,11-15,20,22-23,28H,3-7,9-10,16-19H2,1-2H3,(H,36,40)(H2,35,42,43)
InChIKeyFSHDVXXBXPSIMT-UHFFFAOYSA-N
MW2681.45 g/mol
LogP19.25
Rot. Bonds25

About 10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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 158126908) has the molecular formula C146H182N20O21S4 and a molecular weight of 2681.45 g/mol. Its IUPAC name is 10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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 CID158126908
Molecular FormulaC146H182N20O21S4
Molecular Weight2681.45 g/mol
Exact Mass2679.27
IUPAC Name10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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
SMILESCCN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C(C)=O)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C(C)C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(N)(=O)=O)cc21
InChIInChI=1S/C38H49N5O5S.C37H45N5O6S.C37H47N5O5S.C34H41N5O5S/c1-23(2)41-20-26-12-13-27(21-41)43(26)37(45)38-19-32(38)31-18-28(48-5)14-16-29(31)35-34(24-9-7-6-8-10-24)30-15-11-25(17-33(30)42(35)22-38)36(44)39-49(46,47)40(3)4;1-22(43)40-19-25-11-12-26(20-40)42(25)36(45)37-18-31(37)30-17-27(48-4)13-15-28(30)34-33(23-8-6-5-7-9-23)29-14-10-24(16-32(29)41(34)21-37)35(44)38-49(46,47)39(2)3;1-5-40-20-25-12-13-26(21-40)42(25)36(44)37-19-31(37)30-18-27(47-4)14-16-28(30)34-33(23-9-7-6-8-10-23)29-15-11-24(17-32(29)41(34)22-37)35(43)38-48(45,46)39(2)3;1-37-17-22-9-10-23(18-37)39(22)33(41)34-16-28(34)27-15-24(44-2)11-13-25(27)31-30(20-6-4-3-5-7-20)26-12-8-21(14-29(26)38(31)19-34)32(40)36-45(35,42)43/h11,14-18,23-24,26-27,32H,6-10,12-13,19-22H2,1-5H3,(H,39,44);10,13-17,23,25-26,31H,5-9,11-12,18-21H2,1-4H3,(H,38,44);11,14-18,23,25-26,31H,5-10,12-13,19-22H2,1-4H3,(H,38,43);8,11-15,20,22-23,28H,3-7,9-10,16-19H2,1-2H3,(H,36,40)(H2,35,42,43)
InChIKeyFSHDVXXBXPSIMT-UHFFFAOYSA-N
XLogP19.25
TPSA456.61 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002681.45
LogP ≤ 519.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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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Frequently Asked Questions

What is the IUPAC name of 10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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 158126908) is 10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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 CCN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C(C)=O)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C(C)C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(N)(=O)=O)cc21.
What is the InChIKey of 10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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 FSHDVXXBXPSIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49N5O5S.C37H45N5O6S.C37H47N5O5S.C34H41N5O5S/c1-23(2)41-20-26-12-13-27(21-41)43(26)37(45)38-19-32(38)31-18-28(48-5)14-16-29(31)35-34(24-9-7-6-8-10-24)30-15-11-25(17-33(30)42(35)22-38)36(44)39-49(46,47)40(3)4;1-22(43)40-19-25-11-12-26(20-40)42(25)36(45)37-18-31(37)30-17-27(48-4)13-15-28(30)34-33(23-8-6-5-7-9-23)29-14-10-24(16-32(29)41(34)21-37)35(44)38-49(46,47)39(2)3;1-5-40-20-25-12-13-26(21-40)42(25)36(44)37-19-31(37)30-18-27(47-4)14-16-28(30)34-33(23-9-7-6-8-10-23)29-15-11-24(17-32(29)41(34)22-37)35(43)38-48(45,46)39(2)3;1-37-17-22-9-10-23(18-37)39(22)33(41)34-16-28(34)27-15-24(44-2)11-13-25(27)31-30(20-6-4-3-5-7-20)26-12-8-21(14-29(26)38(31)19-34)32(40)36-45(35,42)43/h11,14-18,23-24,26-27,32H,6-10,12-13,19-22H2,1-5H3,(H,39,44);10,13-17,23,25-26,31H,5-9,11-12,18-21H2,1-4H3,(H,38,44);11,14-18,23,25-26,31H,5-10,12-13,19-22H2,1-4H3,(H,38,43);8,11-15,20,22-23,28H,3-7,9-10,16-19H2,1-2H3,(H,36,40)(H2,35,42,43).
What are the key properties of 10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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 2681.45 g/mol, XLogP of 19.25, 25 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-acetyl-3,8-diazabicyclo[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-N-(dimethylsulfamoyl)-10-(3-ethyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-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-N-(dimethylsulfamoyl)-5-methoxy-10-(3-propan-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-sulfamoyl-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 158126908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).