TM5441

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 15
Total Number of Articles : 12
PubChem 44250349
Molecular Formula

C21H17ClN2O6

SMILES

C1=CC(=CC(=C1)NC(=O)COCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)C3=COC=C3

InChI

InChI=1S/C21H17ClN2O6/c22-15-4-5-18(17(9-15)21(27)28)24-20(26)12-30-11-19(25)23-16-3-1-2-13(8-16)14-6-7-29-10-14/h1-10H,11-12H2,(H,23,25)(H,24,26)(H,27,28)

synonyms
  • 1190221-43-2
  • TM5441
  • TM-5441
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Properties
Property Value
MW 428.8 g/mol
HBD 3
HBA 6
Rotatable Bond Count 8
Exact Mass 428.0775140 g/mol
Monoisotopic Mass 428.0775140 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 618
xlogp 3.3
Topological Polar Surface Area 118