HMPL-013

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 22
Total Number of Articles : 26
PubChem 44480399
Molecular Formula

C21H19N3O5

SMILES

CC1=C(C2=C(O1)C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)NC

InChI

InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)

synonyms
  • Fruquintinib
  • 1194506-26-7
  • HMPL-013
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Properties
Property Value
MW 393.4 g/mol
HBD 1
HBA 7
Rotatable Bond Count 5
Exact Mass 393.13247072 g/mol
Monoisotopic Mass 393.13247072 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 579
xlogp 3.4
Topological Polar Surface Area 95.7