LigandBoxID:D01858

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 -0.7652 -8.8743
LOGS LOGP    
-7.0605 4.2752    

Links to the same SMILES compounds

CHEMBL CHEMBL300072 CHEMBL333994
PUBCHEM 10455790 132916 14748561


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