LigandBoxID:D09925

SMILES: c1ccc(c2ccc4ccc(C6NC(C3CC(C3)(O)C)n5ccnc(c65)N)cc4n2)cc1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D09925

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C26H23N5O 421.504 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.8959 -8.3143
LOGS LOGP    
-6.9540 4.7546    

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