13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane

C146H172N22O22S5 — CID 157348927

IUPAC13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane
SMILESC.COc1ccc2c(c1)C=C(C(=O)N1CCC(Oc3ncccn3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H]1C(=O)N(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCN(c3ccccc3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCN(c3nccs3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C38H43N5O5S.C37H42N6O6S.C35H40N6O5S2.C35H43N5O6S.CH4/c1-40(2)49(46,47)39-37(44)27-14-16-33-34(24-27)43-25-29(38(45)42-20-18-41(19-21-42)30-12-8-5-9-13-30)22-28-23-31(48-3)15-17-32(28)36(43)35(33)26-10-6-4-7-11-26;1-41(2)50(46,47)40-35(44)25-10-12-31-32(22-25)43-23-27(36(45)42-18-14-28(15-19-42)49-37-38-16-7-17-39-37)20-26-21-29(48-3)11-13-30(26)34(43)33(31)24-8-5-4-6-9-24;1-38(2)48(44,45)37-33(42)24-9-11-29-30(21-24)41-22-26(34(43)39-14-16-40(17-15-39)35-36-13-18-47-35)19-25-20-27(46-3)10-12-28(25)32(41)31(29)23-7-5-4-6-8-23;1-37(2)35(43)29-12-9-17-39(29)34(42)25-18-24-19-26(46-5)14-16-27(24)32-31(22-10-7-6-8-11-22)28-15-13-23(20-30(28)40(32)21-25)33(41)36-47(44,45)38(3)4;/h5,8-9,12-17,22-24,26H,4,6-7,10-11,18-21,25H2,1-3H3,(H,39,44);7,10-13,16-17,20-22,24,28H,4-6,8-9,14-15,18-19,23H2,1-3H3,(H,40,44);9-13,18-21,23H,4-8,14-17,22H2,1-3H3,(H,37,42);13-16,18-20,22,29H,6-12,17,21H2,1-5H3,(H,36,41);1H4/t;;;29-;/m...0./s1
InChIKeyBHHLJWQPSVSYPR-YGEPSBCMSA-N
MW2747.45 g/mol
LogP20.92
Rot. Bonds29

About 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane

13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane (PubChem CID 157348927) has the molecular formula C146H172N22O22S5 and a molecular weight of 2747.45 g/mol. Its IUPAC name is 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane.

Molecular Properties

Compound Name13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane
PubChem CID157348927
Molecular FormulaC146H172N22O22S5
Molecular Weight2747.45 g/mol
Exact Mass2745.16
IUPAC Name13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane
SMILESC.COc1ccc2c(c1)C=C(C(=O)N1CCC(Oc3ncccn3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H]1C(=O)N(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCN(c3ccccc3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCN(c3nccs3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C38H43N5O5S.C37H42N6O6S.C35H40N6O5S2.C35H43N5O6S.CH4/c1-40(2)49(46,47)39-37(44)27-14-16-33-34(24-27)43-25-29(38(45)42-20-18-41(19-21-42)30-12-8-5-9-13-30)22-28-23-31(48-3)15-17-32(28)36(43)35(33)26-10-6-4-7-11-26;1-41(2)50(46,47)40-35(44)25-10-12-31-32(22-25)43-23-27(36(45)42-18-14-28(15-19-42)49-37-38-16-7-17-39-37)20-26-21-29(48-3)11-13-30(26)34(43)33(31)24-8-5-4-6-9-24;1-38(2)48(44,45)37-33(42)24-9-11-29-30(21-24)41-22-26(34(43)39-14-16-40(17-15-39)35-36-13-18-47-35)19-25-20-27(46-3)10-12-28(25)32(41)31(29)23-7-5-4-6-8-23;1-37(2)35(43)29-12-9-17-39(29)34(42)25-18-24-19-26(46-5)14-16-27(24)32-31(22-10-7-6-8-11-22)28-15-13-23(20-30(28)40(32)21-25)33(41)36-47(44,45)38(3)4;/h5,8-9,12-17,22-24,26H,4,6-7,10-11,18-21,25H2,1-3H3,(H,39,44);7,10-13,16-17,20-22,24,28H,4-6,8-9,14-15,18-19,23H2,1-3H3,(H,40,44);9-13,18-21,23H,4-8,14-17,22H2,1-3H3,(H,37,42);13-16,18-20,22,29H,6-12,17,21H2,1-5H3,(H,36,41);1H4/t;;;29-;/m...0./s1
InChIKeyBHHLJWQPSVSYPR-YGEPSBCMSA-N
XLogP20.92
TPSA478.49 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds29
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002747.45
LogP ≤ 520.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane with MolForge

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Related Compounds

13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 57526549
13-cyclohexyl-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-N-(dimethylsulfamoyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;[2-[4-[13-cyclohexyl-10-(morpholin-4-ylsulfonylcarbamoyl)-7H-indolo[2,1-a][2]benzazepine-6-carbonyl]piperazin-1-yl]-2-oxoethyl] acetate;N-(dimethylsulfamoyl)-6-(4-methylsulfonylpiperazine-1-carbonyl)-3-phenylmethoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane
CID 157423671
methane;2-(7-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[2-(4-methoxyphenyl)-5-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-1,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-oxo-4-phenylpyrrolidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 157575221
19-cyclohexyl-N-(4,6-dimethylpyrimidin-2-yl)sulfonyl-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-ethenylsulfonyl-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-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-N-(2-methylprop-1-enylsulfonyl)-12-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-pyrimidin-2-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 158504683
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-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;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(1,3-thiazol-2-yl)piperidine-1-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;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane
CID 159085752
13-cyclohexyl-6-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-6-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 159763758
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-pyridin-2-ylimidazolidine-2,4-dione;5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylpyrimidin-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
CID 159766207
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,8-naphthyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
CID 160946067
21-cyclohexyl-10-[1-(dimethylamino)propan-2-yl]-17-N-(dimethylsulfamoyl)-5-methoxy-12-N,12-N-dimethyl-10,14-diazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2(7),3,5,15(20),16,18-heptaene-12,17-dicarboxamide;21-cyclohexyl-17-N-(dimethylsulfamoyl)-5-methoxy-12-N,12-N-dimethyl-10-[(3-methylimidazol-4-yl)methyl]-10,14-diazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2(7),3,5,15(20),16,18-heptaene-12,17-dicarboxamide;21-cyclohexyl-17-N-(dimethylsulfamoyl)-5-methoxy-12-N,12-N-dimethyl-10-[(2S)-1-methylpyrrolidine-2-carbonyl]-10,14-diazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2(7),3,5,15(20),16,18-heptaene-12,17-dicarboxamide
CID 161286717

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane?
The IUPAC name of 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane (CID 157348927) is 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane.
What is the SMILES notation for 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane?
The canonical SMILES for 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane is C.COc1ccc2c(c1)C=C(C(=O)N1CCC(Oc3ncccn3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H]1C(=O)N(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCN(c3ccccc3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C=C(C(=O)N1CCN(c3nccs3)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.
What is the InChIKey of 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane?
The InChIKey is BHHLJWQPSVSYPR-YGEPSBCMSA-N. The full InChI is InChI=1S/C38H43N5O5S.C37H42N6O6S.C35H40N6O5S2.C35H43N5O6S.CH4/c1-40(2)49(46,47)39-37(44)27-14-16-33-34(24-27)43-25-29(38(45)42-20-18-41(19-21-42)30-12-8-5-9-13-30)22-28-23-31(48-3)15-17-32(28)36(43)35(33)26-10-6-4-7-11-26;1-41(2)50(46,47)40-35(44)25-10-12-31-32(22-25)43-23-27(36(45)42-18-14-28(15-19-42)49-37-38-16-7-17-39-37)20-26-21-29(48-3)11-13-30(26)34(43)33(31)24-8-5-4-6-9-24;1-38(2)48(44,45)37-33(42)24-9-11-29-30(21-24)41-22-26(34(43)39-14-16-40(17-15-39)35-36-13-18-47-35)19-25-20-27(46-3)10-12-28(25)32(41)31(29)23-7-5-4-6-8-23;1-37(2)35(43)29-12-9-17-39(29)34(42)25-18-24-19-26(46-5)14-16-27(24)32-31(22-10-7-6-8-11-22)28-15-13-23(20-30(28)40(32)21-25)33(41)36-47(44,45)38(3)4;/h5,8-9,12-17,22-24,26H,4,6-7,10-11,18-21,25H2,1-3H3,(H,39,44);7,10-13,16-17,20-22,24,28H,4-6,8-9,14-15,18-19,23H2,1-3H3,(H,40,44);9-13,18-21,23H,4-8,14-17,22H2,1-3H3,(H,37,42);13-16,18-20,22,29H,6-12,17,21H2,1-5H3,(H,36,41);1H4/t;;;29-;/m...0./s1.
What are the key properties of 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane?
13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane has a molecular weight of 2747.45 g/mol, XLogP of 20.92, 29 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-6-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-N-(dimethylsulfamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-phenylpiperazine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide;methane is sourced from PubChem (CID 157348927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).