13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane

C72H94N8O13S2 — CID 157449294

IUPAC13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane
SMILESC.C.C[C@@H]1CN(C(=O)C2=Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N5CCOCC5)cc4n3C2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.O=C(O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N4CCOCC4)cc3n2C1
InChIInChI=1S/C35H42N4O6S.C29H31N3O6S.C6H13NO.2CH4/c1-23-20-37(21-24(2)45-23)35(41)28-18-26-10-6-7-11-29(26)33-32(25-8-4-3-5-9-25)30-13-12-27(19-31(30)39(33)22-28)34(40)36-46(42,43)38-14-16-44-17-15-38;33-28(30-39(36,37)31-12-14-38-15-13-31)21-10-11-24-25(17-21)32-18-22(29(34)35)16-20-8-4-5-9-23(20)27(32)26(24)19-6-2-1-3-7-19;1-5-3-7-4-6(2)8-5;;/h6-7,10-13,18-19,23-25H,3-5,8-9,14-17,20-22H2,1-2H3,(H,36,40);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,30,33)(H,34,35);5-7H,3-4H2,1-2H3;2*1H4/t23-,24+;;5-,6+;;
InChIKeyBSPNFAUOQHKKJV-NGLBHCDPSA-N
MW1343.72 g/mol
LogP10.50
Rot. Bonds10

About 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane

13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane (PubChem CID 157449294) has the molecular formula C72H94N8O13S2 and a molecular weight of 1343.72 g/mol. Its IUPAC name is 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane.

Molecular Properties

Compound Name13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane
PubChem CID157449294
Molecular FormulaC72H94N8O13S2
Molecular Weight1343.72 g/mol
Exact Mass1342.64
IUPAC Name13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane
SMILESC.C.C[C@@H]1CN(C(=O)C2=Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N5CCOCC5)cc4n3C2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.O=C(O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N4CCOCC4)cc3n2C1
InChIInChI=1S/C35H42N4O6S.C29H31N3O6S.C6H13NO.2CH4/c1-23-20-37(21-24(2)45-23)35(41)28-18-26-10-6-7-11-29(26)33-32(25-8-4-3-5-9-25)30-13-12-27(19-31(30)39(33)22-28)34(40)36-46(42,43)38-14-16-44-17-15-38;33-28(30-39(36,37)31-12-14-38-15-13-31)21-10-11-24-25(17-21)32-18-22(29(34)35)16-20-8-4-5-9-23(20)27(32)26(24)19-6-2-1-3-7-19;1-5-3-7-4-6(2)8-5;;/h6-7,10-13,18-19,23-25H,3-5,8-9,14-17,20-22H2,1-2H3,(H,36,40);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,30,33)(H,34,35);5-7H,3-4H2,1-2H3;2*1H4/t23-,24+;;5-,6+;;
InChIKeyBSPNFAUOQHKKJV-NGLBHCDPSA-N
XLogP10.50
TPSA249.38 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.72
LogP ≤ 510.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;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

13-cyclohexyl-6-[(2S)-2-methylmorpholine-4-carbonyl]-N-(2-morpholin-4-ylethyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71206738
N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-6-N-[(2S)-1-(dimethylamino)-3-hydroxy-2-methyl-1-oxopropan-2-yl]-10-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-methoxy-N-pyrrolidin-1-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-3-methoxy-6-(morpholine-4-carbonyl)-N-pyrrolidin-1-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane
CID 159710635
methyl 3-chloro-13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 58677114
13-cyclohexyl-N-hydroxy-6-(3-oxopiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 89371649
13-cyclohexyl-N-(dimethylsulfamoyl)-6-(6-oxo-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindole-2-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 16667163
tert-butyl N-(diethylsulfamoyl)carbamate;bis(13-cyclohexyl-N-(diethylsulfamoyl)-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;[ethyl(sulfamoyl)amino]ethane
CID 158907309
methyl 13-cyclohexyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 143427262
6-(4-acetylpiperazine-1-carbonyl)-13-cyclohexyl-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;ethane
CID 143427373
methyl 13-cyclohexyl-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 58765165
6-(4-cyclohexa-1,5-dien-1-ylpiperazine-1-carbonyl)-13-cyclohexyl-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143427496
13-cyclohexyl-3-methoxy-6-[4-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 25211431
13-cyclohexyl-10-N-(dimethylsulfamoyl)-6-N-(2-hydroxyethyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide
CID 58765269

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane?
The IUPAC name of 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane (CID 157449294) is 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane.
What is the SMILES notation for 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane?
The canonical SMILES for 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane is C.C.C[C@@H]1CN(C(=O)C2=Cc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N5CCOCC5)cc4n3C2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.O=C(O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N4CCOCC4)cc3n2C1.
What is the InChIKey of 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane?
The InChIKey is BSPNFAUOQHKKJV-NGLBHCDPSA-N. The full InChI is InChI=1S/C35H42N4O6S.C29H31N3O6S.C6H13NO.2CH4/c1-23-20-37(21-24(2)45-23)35(41)28-18-26-10-6-7-11-29(26)33-32(25-8-4-3-5-9-25)30-13-12-27(19-31(30)39(33)22-28)34(40)36-46(42,43)38-14-16-44-17-15-38;33-28(30-39(36,37)31-12-14-38-15-13-31)21-10-11-24-25(17-21)32-18-22(29(34)35)16-20-8-4-5-9-23(20)27(32)26(24)19-6-2-1-3-7-19;1-5-3-7-4-6(2)8-5;;/h6-7,10-13,18-19,23-25H,3-5,8-9,14-17,20-22H2,1-2H3,(H,36,40);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,30,33)(H,34,35);5-7H,3-4H2,1-2H3;2*1H4/t23-,24+;;5-,6+;;.
What are the key properties of 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane?
13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane has a molecular weight of 1343.72 g/mol, XLogP of 10.50, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-morpholin-4-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;(2R,6S)-2,6-dimethylmorpholine;methane is sourced from PubChem (CID 157449294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).