LigandBoxID:D08947

SMILES: n1ccc(CNc3ncccc3C(Nc2ccc4C(CNc4c2)(C)C)=O)cc1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D08947

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H23N5O 373.460 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.3540 -8.3682
LOGS LOGP    
$$$$ -3.0713    

Links to the same SMILES compounds

LIGANDBOX D06678 PDB_706
CHEMBL CHEMBL572881
ZINC ZINC18710082
PUBCHEM 11667893 16097729 16720764 23729449


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