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G9C

Summary
Name:N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
Formula:C24 H18 F3 N3 O
Formal charge:0
Formula weight:421.414 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(1~{S})-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H18F3N3O/c1-15(21-7-2-3-12-28-21)30-23(31)18-13-17-5-4-6-20(22(17)29-14-18)16-8-10-19(11-9-16)24(25,26)27/h2-15H,1H3,(H,30,31)/t15-/m0/s1
InChIKeyInChI1.03FUKXXBXVSANFJK-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385C[C@H](NC(=O)c1cnc2c(cccc2c3ccc(cc3)C(F)(F)F)c1)c4ccccn4
SMILESCACTVS3.385C[CH](NC(=O)c1cnc2c(cccc2c3ccc(cc3)C(F)(F)F)c1)c4ccccn4
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H](c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(c1ccccn1)NC(=O)c2cc3cccc(c3nc2)c4ccc(cc4)C(F)(F)F

221051

PDB entries from 2024-06-12

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