10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane

C142H172N16O23S4 — CID 158909193

IUPAC10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane
SMILESC.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(=O)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)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1COC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCC(C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C36H42N4O6S.2C35H42N4O6S.C35H42N4O5S.CH4/c1-38(2)47(44,45)37-34(42)22-9-13-28-31(15-22)39-20-36(35(43)40-23-10-11-24(40)17-25(41)16-23)19-30(36)29-18-26(46-3)12-14-27(29)33(39)32(28)21-7-5-4-6-8-21;1-37(2)46(42,43)36-33(40)22-9-13-27-30(15-22)39-20-35(34(41)38-18-24-10-11-25(19-38)45-24)17-29(35)28-16-23(44-3)12-14-26(28)32(39)31(27)21-7-5-4-6-8-21;1-37(2)46(42,43)36-33(40)22-9-13-27-30(15-22)38-20-35(34(41)39-23-10-11-24(39)19-45-18-23)17-29(35)28-16-25(44-3)12-14-26(28)32(38)31(27)21-7-5-4-6-8-21;1-37(2)45(42,43)36-33(40)22-9-15-27-30(17-22)38-20-35(34(41)39-23-10-11-24(39)13-12-23)19-29(35)28-18-25(44-3)14-16-26(28)32(38)31(27)21-7-5-4-6-8-21;/h9,12-15,18,21,23-24,30H,4-8,10-11,16-17,19-20H2,1-3H3,(H,37,42);9,12-16,21,24-25,29H,4-8,10-11,17-20H2,1-3H3,(H,36,40);9,12-16,21,23-24,29H,4-8,10-11,17-20H2,1-3H3,(H,36,40);9,14-18,21,23-24,29H,4-8,10-13,19-20H2,1-3H3,(H,36,40);1H4
InChIKeyJGKRCUMLHCWBQL-UHFFFAOYSA-N
MW2599.29 g/mol
LogP20.84
Rot. Bonds24

About 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane

10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane (PubChem CID 158909193) has the molecular formula C142H172N16O23S4 and a molecular weight of 2599.29 g/mol. Its IUPAC name is 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane.

Molecular Properties

Compound Name10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane
PubChem CID158909193
Molecular FormulaC142H172N16O23S4
Molecular Weight2599.29 g/mol
Exact Mass2597.17
IUPAC Name10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane
SMILESC.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(=O)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)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1COC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCC(C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C36H42N4O6S.2C35H42N4O6S.C35H42N4O5S.CH4/c1-38(2)47(44,45)37-34(42)22-9-13-28-31(15-22)39-20-36(35(43)40-23-10-11-24(40)17-25(41)16-23)19-30(36)29-18-26(46-3)12-14-27(29)33(39)32(28)21-7-5-4-6-8-21;1-37(2)46(42,43)36-33(40)22-9-13-27-30(15-22)39-20-35(34(41)38-18-24-10-11-25(19-38)45-24)17-29(35)28-16-23(44-3)12-14-26(28)32(39)31(27)21-7-5-4-6-8-21;1-37(2)46(42,43)36-33(40)22-9-13-27-30(15-22)38-20-35(34(41)39-23-10-11-24(39)19-45-18-23)17-29(35)28-16-25(44-3)12-14-26(28)32(38)31(27)21-7-5-4-6-8-21;1-37(2)45(42,43)36-33(40)22-9-15-27-30(17-22)38-20-35(34(41)39-23-10-11-24(39)13-12-23)19-29(35)28-18-25(44-3)14-16-26(28)32(38)31(27)21-7-5-4-6-8-21;/h9,12-15,18,21,23-24,30H,4-8,10-11,16-17,19-20H2,1-3H3,(H,37,42);9,12-16,21,24-25,29H,4-8,10-11,17-20H2,1-3H3,(H,36,40);9,12-16,21,23-24,29H,4-8,10-11,17-20H2,1-3H3,(H,36,40);9,14-18,21,23-24,29H,4-8,10-13,19-20H2,1-3H3,(H,36,40);1H4
InChIKeyJGKRCUMLHCWBQL-UHFFFAOYSA-N
XLogP20.84
TPSA439.33 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002599.29
LogP ≤ 520.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane with MolForge

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

Launch Full Analysis

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
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
10-(8-acetyl-6-methyl-3,6,8-triazabicyclo[3.2.1]octane-3-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 71064525
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
(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-(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
(8S,10R)-10-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-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 71065623
19-cyclohexyl-5-methoxy-10-[(5R)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]-N-(2,2,2-trifluoroethylsulfonyl)-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 71065029
19-cyclohexyl-10-[(1R,4S)-5-(dimethylcarbamoyl)-2,5-diazabicyclo[2.2.1]heptane-2-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 25142856
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

Frequently Asked Questions

What is the IUPAC name of 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane?
The IUPAC name of 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane (CID 158909193) is 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane.
What is the SMILES notation for 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane?
The canonical SMILES for 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane is C.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CC(=O)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)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1COC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCC(C1)O3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.
What is the InChIKey of 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane?
The InChIKey is JGKRCUMLHCWBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N4O6S.2C35H42N4O6S.C35H42N4O5S.CH4/c1-38(2)47(44,45)37-34(42)22-9-13-28-31(15-22)39-20-36(35(43)40-23-10-11-24(40)17-25(41)16-23)19-30(36)29-18-26(46-3)12-14-27(29)33(39)32(28)21-7-5-4-6-8-21;1-37(2)46(42,43)36-33(40)22-9-13-27-30(15-22)39-20-35(34(41)38-18-24-10-11-25(19-38)45-24)17-29(35)28-16-23(44-3)12-14-26(28)32(39)31(27)21-7-5-4-6-8-21;1-37(2)46(42,43)36-33(40)22-9-13-27-30(15-22)38-20-35(34(41)39-23-10-11-24(39)19-45-18-23)17-29(35)28-16-25(44-3)12-14-26(28)32(38)31(27)21-7-5-4-6-8-21;1-37(2)45(42,43)36-33(40)22-9-15-27-30(17-22)38-20-35(34(41)39-23-10-11-24(39)13-12-23)19-29(35)28-18-25(44-3)14-16-26(28)32(38)31(27)21-7-5-4-6-8-21;/h9,12-15,18,21,23-24,30H,4-8,10-11,16-17,19-20H2,1-3H3,(H,37,42);9,12-16,21,24-25,29H,4-8,10-11,17-20H2,1-3H3,(H,36,40);9,12-16,21,23-24,29H,4-8,10-11,17-20H2,1-3H3,(H,36,40);9,14-18,21,23-24,29H,4-8,10-13,19-20H2,1-3H3,(H,36,40);1H4.
What are the key properties of 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane?
10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane has a molecular weight of 2599.29 g/mol, XLogP of 20.84, 24 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-azabicyclo[2.2.1]heptane-7-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)-5-methoxy-10-(3-oxa-8-azabicyclo[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-(8-oxa-3-azabicyclo[3.2.1]octane-3-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-oxo-8-azabicyclo[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;methane is sourced from PubChem (CID 158909193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).