1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea

C147H135Cl9F7N35O7S — CID 158016255

IUPAC1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea
SMILESCC1(NC(=O)Nc2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=C(NC1CCCCC1)NC1(C(F)(F)F)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)NC1CCC(F)(F)CC1.O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)NS(=O)(=O)c1ccccc1.O=C(Nc1ccccc1F)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(F)cc2)CC1
InChIInChI=1S/C30H30Cl2F3N7O.C30H27Cl2N7O.C29H29Cl2F2N7O.C29H25Cl2N7O3S.C29H24ClF2N7O/c31-19-10-12-21(13-11-19)42-25(22-8-4-5-9-23(22)32)39-24-26(36-18-37-27(24)42)41-16-14-29(15-17-41,30(33,34)35)40-28(43)38-20-6-2-1-3-7-20;1-30(37-29(40)35-21-7-3-2-4-8-21)15-17-38(18-16-30)27-25-28(34-19-33-27)39(22-13-11-20(31)12-14-22)26(36-25)23-9-5-6-10-24(23)32;30-18-5-7-21(8-6-18)40-25(22-3-1-2-4-23(22)31)38-24-26(34-17-35-27(24)40)39-15-11-20(12-16-39)37-28(41)36-19-9-13-29(32,33)14-10-19;30-19-10-12-21(13-11-19)38-26(23-8-4-5-9-24(23)31)35-25-27(32-18-33-28(25)38)37-16-14-20(15-17-37)34-29(39)36-42(40,41)22-6-2-1-3-7-22;30-22-6-2-1-5-21(22)26-37-25-27(33-17-34-28(25)39(26)20-11-9-18(31)10-12-20)38-15-13-19(14-16-38)35-29(40)36-24-8-4-3-7-23(24)32/h4-5,8-13,18,20H,1-3,6-7,14-17H2,(H2,38,40,43);2-14,19H,15-18H2,1H3,(H2,35,37,40);1-8,17,19-20H,9-16H2,(H2,36,37,41);1-13,18,20H,14-17H2,(H2,34,36,39);1-12,17,19H,13-16H2,(H2,35,36,40)
InChIKeyFFMRWGMBNUZTFP-UHFFFAOYSA-N
MW2988.06 g/mol
LogP32.58
Rot. Bonds26

About 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea

1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea (PubChem CID 158016255) has the molecular formula C147H135Cl9F7N35O7S and a molecular weight of 2988.06 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea
PubChem CID158016255
Molecular FormulaC147H135Cl9F7N35O7S
Molecular Weight2988.06 g/mol
Exact Mass2981.81
IUPAC Name1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea
SMILESCC1(NC(=O)Nc2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=C(NC1CCCCC1)NC1(C(F)(F)F)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)NC1CCC(F)(F)CC1.O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)NS(=O)(=O)c1ccccc1.O=C(Nc1ccccc1F)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(F)cc2)CC1
InChIInChI=1S/C30H30Cl2F3N7O.C30H27Cl2N7O.C29H29Cl2F2N7O.C29H25Cl2N7O3S.C29H24ClF2N7O/c31-19-10-12-21(13-11-19)42-25(22-8-4-5-9-23(22)32)39-24-26(36-18-37-27(24)42)41-16-14-29(15-17-41,30(33,34)35)40-28(43)38-20-6-2-1-3-7-20;1-30(37-29(40)35-21-7-3-2-4-8-21)15-17-38(18-16-30)27-25-28(34-19-33-27)39(22-13-11-20(31)12-14-22)26(36-25)23-9-5-6-10-24(23)32;30-18-5-7-21(8-6-18)40-25(22-3-1-2-4-23(22)31)38-24-26(34-17-35-27(24)40)39-15-11-20(12-16-39)37-28(41)36-19-9-13-29(32,33)14-10-19;30-19-10-12-21(13-11-19)38-26(23-8-4-5-9-24(23)31)35-25-27(32-18-33-28(25)38)37-16-14-20(15-17-37)34-29(39)36-42(40,41)22-6-2-1-3-7-22;30-22-6-2-1-5-21(22)26-37-25-27(33-17-34-28(25)39(26)20-11-9-18(31)10-12-20)38-15-13-19(14-16-38)35-29(40)36-24-8-4-3-7-23(24)32/h4-5,8-13,18,20H,1-3,6-7,14-17H2,(H2,38,40,43);2-14,19H,15-18H2,1H3,(H2,35,37,40);1-8,17,19-20H,9-16H2,(H2,36,37,41);1-13,18,20H,14-17H2,(H2,34,36,39);1-12,17,19H,13-16H2,(H2,35,36,40)
InChIKeyFFMRWGMBNUZTFP-UHFFFAOYSA-N
XLogP32.58
TPSA473.99 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002988.06
LogP ≤ 532.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea with MolForge

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Related Compounds

1-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-(2-fluorophenyl)sulfonylurea
CID 135156317
1-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)sulfonylurea
CID 155556444
4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,4-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 157506187
4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
CID 159104354
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 160113901
1-(benzenesulfonyl)-4-chloro-5-isocyanopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-isocyano-N-piperidin-4-ylpyrrolo[2,3-b]pyridin-4-amine;1-(benzenesulfonyl)-5-isocyano-N-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-4-amine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;methane;3-(trifluoromethyl)benzenesulfonyl chloride;iodide;hydrochloride
CID 164961738
1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide
CID 157260387
3-Chloro-4-methylbenzenesulfonyl chloride;bis(3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-(2-chlorophenyl)imidazo[4,5-b]pyridine);2-(2-chlorophenyl)-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 157558223
1-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide;N-[2-chloro-4-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[4-chloro-2-fluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3-fluoropropane-1-sulfonamide
CID 157866790
[4-(aminomethyl)cyclohexyl]methanamine;tris(N-[[4-(aminomethyl)cyclohexyl]methyl]-8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-amine);bis(6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine);8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine;N-[[4-[[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]methyl]cyclohexyl]methyl]methanesulfonamide;8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[[4-[(sulfamoylamino)methyl]cyclohexyl]methylamino]purine;methanesulfonyl chloride;piperidine;sulfamide
CID 157967165
N-(benzenesulfonyl)-4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclohexylpiperazine-1-sulfonamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclohexylsulfonylpiperazine-1-carboxamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-phenylpiperazine-1-sulfonamide;1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-(phenylsulfamoyl)piperidin-4-amine
CID 158021393
bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)
CID 158243361

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea (CID 158016255) is 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea is CC1(NC(=O)Nc2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=C(NC1CCCCC1)NC1(C(F)(F)F)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)NC1CCC(F)(F)CC1.O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)NS(=O)(=O)c1ccccc1.O=C(Nc1ccccc1F)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea?
The InChIKey is FFMRWGMBNUZTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2F3N7O.C30H27Cl2N7O.C29H29Cl2F2N7O.C29H25Cl2N7O3S.C29H24ClF2N7O/c31-19-10-12-21(13-11-19)42-25(22-8-4-5-9-23(22)32)39-24-26(36-18-37-27(24)42)41-16-14-29(15-17-41,30(33,34)35)40-28(43)38-20-6-2-1-3-7-20;1-30(37-29(40)35-21-7-3-2-4-8-21)15-17-38(18-16-30)27-25-28(34-19-33-27)39(22-13-11-20(31)12-14-22)26(36-25)23-9-5-6-10-24(23)32;30-18-5-7-21(8-6-18)40-25(22-3-1-2-4-23(22)31)38-24-26(34-17-35-27(24)40)39-15-11-20(12-16-39)37-28(41)36-19-9-13-29(32,33)14-10-19;30-19-10-12-21(13-11-19)38-26(23-8-4-5-9-24(23)31)35-25-27(32-18-33-28(25)38)37-16-14-20(15-17-37)34-29(39)36-42(40,41)22-6-2-1-3-7-22;30-22-6-2-1-5-21(22)26-37-25-27(33-17-34-28(25)39(26)20-11-9-18(31)10-12-20)38-15-13-19(14-16-38)35-29(40)36-24-8-4-3-7-23(24)32/h4-5,8-13,18,20H,1-3,6-7,14-17H2,(H2,38,40,43);2-14,19H,15-18H2,1H3,(H2,35,37,40);1-8,17,19-20H,9-16H2,(H2,36,37,41);1-13,18,20H,14-17H2,(H2,34,36,39);1-12,17,19H,13-16H2,(H2,35,36,40).
What are the key properties of 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea?
1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea has a molecular weight of 2988.06 g/mol, XLogP of 32.58, 26 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 158016255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).