0C3

4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid


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Chemical Component Summary

Name4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid
Identifiers4-[[4-[[2-(trifluoromethyl)phenyl]amino]pyrimidin-2-yl]amino]benzoic acid
FormulaC18 H13 F3 N4 O2
Molecular Weight374.317
TypeNON-POLYMER
Isomeric SMILESc1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)13-3-1-2-4-14(13)24-15-9-10-22-17(25-15)23-12-7-5-11(6-8-12)16(26)27/h1-10H,(H,26,27)(H2,22,23,24,25)
InChIKeyQFNWNXOHCUAEBM-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count42
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 56587963
ChEMBL CHEMBL2170434