LigandBoxID:D09920

SMILES: COc3cc4nccc(c4cc3C(=O)N)Oc2ccc(c(c2)[Cl])NC(NC1CC1)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D09920

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H19N4O4Cl 426.860 0 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -0.8601 -9.1675
LOGS LOGP    
$$$$ -0.6183    

Links to the same SMILES compounds

LIGANDBOX D09919
CHEMBL CHEMBL1289601
ZINC ZINC03816292
PUBCHEM 11237762 11260694 11261174 11307007 11465410
11607408 16004658 24860585 25265821 9823820


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