LigandBoxID:D01028

NAME:Ticlopidine hydrochloride;Ticlid
SMILES: [Cl]c2ccccc2CN1CCc3sccc3C1

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01028

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H15NSCl 264.799 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 1 -3.9212 -12.8163
LOGS LOGP    
-4.6467 4.7583    

Links to the same SMILES compounds

LIGANDBOX C07140 D08594 HTS1610-00116427 HTS1610-00116428 HTS1610-00116429
HTS1610-00116430 KSH2016-00015589 KSH2016-02201951 PDB_TIC
CHEMBL CHEMBL1717 CHEMBL833
ZINC ZINC00002165 ZINC19594599
PUBCHEM 11301025 20258300 42601769 42601843 42601844
42601845 42601846 42601847 42601848 42601849 42601925
42601926 42601927 42601928 42602090 44290441 5472
65335 657310 6919025


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