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8IR

Summary
Name:N-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide
Formula:C25 H19 Cl N4 O3
Formal charge:0
Formula weight:458.896 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6N-(2-chlorophenyl)-4-[(4-methoxyphenyl)carbonylamino]-N-pyrimidin-4-yl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H19ClN4O3/c1-33-20-12-8-17(9-13-20)24(31)29-19-10-6-18(7-11-19)25(32)30(23-14-15-27-16-28-23)22-5-3-2-4-21(22)26/h2-16H,1H3,(H,29,31)
InChIKeyInChI1.03XGSDYBUNVFYCTB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccncn3)c4ccccc4Cl
SMILESCACTVS3.385COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccncn3)c4ccccc4Cl
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4
SMILESOpenEye OEToolkits1.7.6COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4

246905

PDB entries from 2025-12-31

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