208
  Mrv0541 02231214312D          

 17 19  0  0  1  0            999 V2000
    2.3645    1.2375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7176   -1.0764    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7176    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1991   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00208

> <DATABASE_NAME>
drugbank

> <SMILES>
ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2

> <INCHI_IDENTIFIER>
InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2

> <INCHI_KEY>
PHWBOXQYWZNQIN-UHFFFAOYSA-N

> <FORMULA>
C14H14ClNS

> <MOLECULAR_WEIGHT>
263.786

> <EXACT_MASS>
263.05354785

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.46346763971452953

> <JCHEM_AVERAGE_POLARIZABILITY>
27.990395292866083

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine

> <ALOGPS_LOGP>
4.25

> <JCHEM_LOGP>
4.195930255999999

> <ALOGPS_LOGS>
-4.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.936423495158596

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
74.32800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.19e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00208

> <SECONDARY_ACCESSION_NUMBERS>
APRD01257

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ticlopidine

> <SYNONYMS>
Ticlopidina; Ticlopidine; Ticlopidinum

> <PRODUCTS>
Alti-ticlopidine - Tab 250mg; Dom-ticlopidine; Mylan-ticlopidine; PMS-ticlopidine; Sandoz Ticlopidine; Teva-ticlopidine; Ticlid; Ticlid 250mg Tablets; Ticlid Tab 250mg; Ticlopidine; Ticlopidine Hydrochloride; Ticlopidine hydrochloride; Ticlopidine-250

> <SALTS>
Ticlopidine hydrochloride

$$$$