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ND0

Summary
Name:N-[4-(1,3-thiazol-5-yl)phenyl]-4-[2-(trifluoromethyl)phenyl]carbonyl-1H-pyrrole-2-carboxamide
Synonyms:YL-5092
Formula:C22 H14 F3 N3 O2 S
Formal charge:0
Formula weight:441.426 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[4-(1,3-thiazol-5-yl)phenyl]-4-[2-(trifluoromethyl)phenyl]carbonyl-1~{H}-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H14F3N3O2S/c23-22(24,25)17-4-2-1-3-16(17)20(29)14-9-18(27-10-14)21(30)28-15-7-5-13(6-8-15)19-11-26-12-31-19/h1-12,27H,(H,28,30)
InChIKeyInChI1.06HLKQNAGWYQKBSH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1ccccc1C(=O)c2c[nH]c(c2)C(=O)Nc3ccc(cc3)c4scnc4
SMILESCACTVS3.385FC(F)(F)c1ccccc1C(=O)c2c[nH]c(c2)C(=O)Nc3ccc(cc3)c4scnc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)c2cc([nH]c2)C(=O)Nc3ccc(cc3)c4cncs4)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)c2cc([nH]c2)C(=O)Nc3ccc(cc3)c4cncs4)C(F)(F)F

250835

PDB entries from 2026-03-18

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