LigandBoxID:D07482

NAME:Azatadine
SMILES: CN1CCC(=C4c2ccccc2CCc3cccnc43)CC1

2D 3D


select 3D conformers:
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 -3.6850 -12.1610
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.276777005E+01 0.615723543E-01 + 0.9484

Links to the same SMILES compounds

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

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