LigandBoxID:D00787

NAME:Trihexyphenidyl hydrochloride;Artane
SMILES: C1CCN(CCC(c3ccccc3)(C2CCCCC2)O)CC1

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00787

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H32NO 302.482 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -3.6560 -12.4020
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.321843004E+01 0.111189552E+00 - 1.5823

Links to the same SMILES compounds

LIGANDBOX 00097111 C07171 D08638
CHEMBL CHEMBL1092 CHEMBL1356870 CHEMBL1490
ZINC ZINC00968273 ZINC00968274
PUBCHEM 187771 20056866 207842 207843 207844
207845 21127105 23624210 44302878 50987091 517300
5572 657317 66007 6973657 6973658

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