LigandBoxID:D00394

NAME:Trimipramine
SMILES: CN(CC(CN3c1ccccc1CCc2ccccc32)C)C

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00394

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H27N2 295.450 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 1 -3.8600 -11.3440
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.255679011E+01 0.462598838E-01 + 0.6492

Links to the same SMILES compounds

LIGANDBOX C14029 D02408
CHEMBL CHEMBL1200948 CHEMBL1435477 CHEMBL644
ZINC ZINC00968275 ZINC03831586
PUBCHEM 107128 11621210 17756745 21158552 29010887
3045275 40467257 45040644 45040645 5232618 5282318
5282594 5584 57369430 6504735 6604024

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