LigandBoxID:D03001

SMILES: CCNc3cccnc3N1CCN(C(c2nc4ccc(cc4c2)OC)=O)CC1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D03001

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H25N5O2 379.464 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.1355 -8.2377
LOGS LOGP    
$$$$ 0.0177    

Links to the same SMILES compounds

CHEMBL CHEMBL280527 CHEMBL7264
PUBCHEM 60847 60848


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