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KWP

Summary
Name:~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
Formula:C17 H16 Cl2 N4 O2
Formal charge:0
Formula weight:379.241 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H16Cl2N4O2/c18-14-2-1-13(9-15(14)19)23-10-12(5-8-24)16(22-23)21-17(25)11-3-6-20-7-4-11/h1-4,6-7,9,12,24H,5,8,10H2,(H,21,22,25)/t12-/m0/s1
InChIKeyInChI1.03XHACMMNMQIKLAQ-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385OCC[C@H]1CN(N=C1NC(=O)c2ccncc2)c3ccc(Cl)c(Cl)c3
SMILESCACTVS3.385OCC[CH]1CN(N=C1NC(=O)c2ccncc2)c3ccc(Cl)c(Cl)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1N2C[C@@H](C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1N2CC(C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl

217705

건을2024-03-27부터공개중

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