AM5

4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide


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Chemical Component Summary

Name4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
Identifiers4-methyl-N'-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
FormulaC31 H30 F3 N7 O2
Molecular Weight589.611
TypeNON-POLYMER
Isomeric SMILESCc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F
InChIInChI=1S/C31H30F3N7O2/c1-20-6-7-21(28(42)37-24-5-3-4-22(17-24)31(32,33)34)16-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)
InChIKeyJZLAJYOZJKREKH-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count0
Bond Count77
Aromatic Bond Count24

Related Resource References

Resource NameReference
Pharos CHEMBL408070
PubChem 24823586
ChEMBL CHEMBL408070