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Fradafiban
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NAMES
  • Fradafiban
SMILES
N=C(N)c1ccc(-c2ccc(OC[C@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1
InChI
InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16+/m0/s1
MOLECULAR FORMULA
C20H21N3O4
CROSS REFERENCES
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Fradafiban

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 367.15
AlogP 2.00
HBond donors 5
HBond acceptors 7
Atoms 48
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Fradafiban.