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UW3

Summary
Name:5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide
Formula:C23 H27 N5 O2
Formal charge:0
Formula weight:405.493 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide
OpenEye OEToolkits1.9.25-azanyl-3-(7-cyclobutyloxyquinolin-3-yl)-1-cyclohexyl-pyrazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1c(N)n(nc1c3cc4ccc(OC2CCC2)cc4nc3)C5CCCCC5)N
InChIInChI1.03InChI=1S/C23H27N5O2/c24-22-20(23(25)29)21(27-28(22)16-5-2-1-3-6-16)15-11-14-9-10-18(12-19(14)26-13-15)30-17-7-4-8-17/h9-13,16-17H,1-8,24H2,(H2,25,29)
InChIKeyInChI1.03AJQKERUGIYLYDN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1c(N)n(nc1c2cnc3cc(OC4CCC4)ccc3c2)C5CCCCC5
SMILESCACTVS3.385NC(=O)c1c(N)n(nc1c2cnc3cc(OC4CCC4)ccc3c2)C5CCCCC5
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(cc2c1cc(cn2)c3c(c(n(n3)C4CCCCC4)N)C(=O)N)OC5CCC5
SMILESOpenEye OEToolkits1.9.2c1cc(cc2c1cc(cn2)c3c(c(n(n3)C4CCCCC4)N)C(=O)N)OC5CCC5

222415

数据于2024-07-10公开中

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