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K23

Summary
Name:6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indole-2-carboxylic acid
Formula:C25 H17 Cl2 N3 O2
Formal charge:0
Formula weight:462.327 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.16-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenyl-imidazol-4-yl]-1H-indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352OC(=O)c1[nH]c2cc(Cl)ccc2c1c3n(Cc4ccc(Cl)cc4)cnc3c5ccccc5
SMILESCACTVS3.352OC(=O)c1[nH]c2cc(Cl)ccc2c1c3n(Cc4ccc(Cl)cc4)cnc3c5ccccc5
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)O)Cl
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)O)Cl
InChIInChI1.03InChI=1S/C25H17Cl2N3O2/c26-17-8-6-15(7-9-17)13-30-14-28-22(16-4-2-1-3-5-16)24(30)21-19-11-10-18(27)12-20(19)29-23(21)25(31)32/h1-12,14,29H,13H2,(H,31,32)
InChIKeyInChI1.03QZJRNGXHRQJBJH-UHFFFAOYSA-N

222624

건을2024-07-17부터공개중

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