LigandBoxID:D07482

SMILES: CN1CCC(=C4c2ccccc2CCc3cccnc43)CC1

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07482

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H23N2 291.418 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -3.7598 -12.1439
LOGS LOGP    
-4.3148 4.7417    

Links to the same SMILES compounds

LIGANDBOX C07774 D00662 HTS1306-04546112
CHEMBL CHEMBL1200540 CHEMBL946
ZINC ZINC00968337
PUBCHEM 16052003 19861 21158508 24847977 5281066
53486409 59910424 6442079


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