CHEMBL2031461

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 167
Total Number of Articles : 155
PubChem 11554076
Molecular Formula

C24H24N6O3

SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NOC=C2)N3C=NC4=C(C3=O)C=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)26-22-7-12-33-27-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-10-8-28(2)9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,26,27,31)

synonyms
  • CHEMBL2031461
  • N-Isoxazol-3-Yl-4-Methyl-3-[6-(4-Methylpiperazin-1-Yl)-4-Oxo-Quinazolin-3-Yl]benzamide
  • N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide
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Properties
Property Value
MW 444.5 g/mol
HBD 1
HBA 7
Rotatable Bond Count 4
Exact Mass 444.19098865 g/mol
Monoisotopic Mass 444.19098865 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 754
xlogp 2.4
Topological Polar Surface Area 94.3