45B

4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide


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Chemical Component Summary

Name4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide
IdentifiersN-(2-chlorophenyl)-4-[[2-[[4-[2-(4-ethanoylpiperazin-1-yl)-2-oxo-ethyl]phenyl]amino]-5-fluoro-pyrimidin-4-yl]amino]benzamide
FormulaC31 H29 Cl F N7 O3
Molecular Weight602.058
TypeNON-POLYMER
Isomeric SMILESCC(=O)N1CCN(CC1)C(=O)Cc2ccc(cc2)Nc3ncc(c(n3)Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)F
InChIInChI=1S/C31H29ClFN7O3/c1-20(41)39-14-16-40(17-15-39)28(42)18-21-6-10-24(11-7-21)36-31-34-19-26(33)29(38-31)35-23-12-8-22(9-13-23)30(43)37-27-5-3-2-4-25(27)32/h2-13,19H,14-18H2,1H3,(H,37,43)(H2,34,35,36,38)
InChIKeyGAAHSFKFIMENOG-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count0
Bond Count76
Aromatic Bond Count24

Related Resource References

Resource NameReference
Pharos CHEMBL508307
PubChem 42628077
ChEMBL CHEMBL508307