C646

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 71
Total Number of Articles : 68
PubChem 2871948
Molecular Formula

C24H19N3O6

SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)

synonyms
  • C646
  • CHEMBL4208500
  • C-646
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Properties
Property Value
MW 445.4 g/mol
HBD 1
HBA 7
Rotatable Bond Count 4
Exact Mass 445.12738533 g/mol
Monoisotopic Mass 445.12738533 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 857
xlogp 4.2
Topological Polar Surface Area 129