Chemical Component Summary

NameN-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
IdentifiersN-[3-[[3-[4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl]pyridin-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
FormulaC35 H37 N9 O2
Molecular Weight615.727
TypeNON-POLYMER
Isomeric SMILESCc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5ccc(cc5)CN6CCN(CC6)C
InChIInChI=1S/C35H37N9O2/c1-24-6-11-28(39-34(45)26-9-7-25(8-10-26)22-44-19-17-43(2)18-20-44)21-31(24)41-32-30(5-4-16-36-32)33-37-23-38-35(42-33)40-27-12-14-29(46-3)15-13-27/h4-16,21,23H,17-20,22H2,1-3H3,(H,36,41)(H,39,45)(H,37,38,40,42)
InChIKeyGYWHBDTXHKFFLF-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count83
Chiral Atom Count0
Bond Count88
Aromatic Bond Count31

Related Resource References

Resource NameReference
PubChem 25195368
ChEMBL CHEMBL1214254