LigandBoxID:D01858

NAME:Panazepide;Pranazepide;FK 480;FR 120480
SMILES: Fc1ccccc1C6=NC(C(N5CCc4cccc6c54)=O)NC(c2cc3ccccc3n2)=O

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01858

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C26H19N4O2F 438.462 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -0.8370 -8.6870
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.735478020E+01 0.979053319E+00 - 2.6756

Links to the same SMILES compounds

CHEMBL CHEMBL300072 CHEMBL333994
PUBCHEM 10455790 132916 14748561

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