848
  Mrv0541 02231215032D          

 14 16  0  0  1  0            999 V2000
    6.1753   -0.6639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3946    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6100   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6100    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1251    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1753    0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3946   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6568    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    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
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  1  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00848

> <DATABASE_NAME>
drugbank

> <SMILES>
C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1

> <INCHI_KEY>
HLFSDGLLUJUHTE-SNVBAGLBSA-N

> <FORMULA>
C11H12N2S

> <MOLECULAR_WEIGHT>
204.291

> <EXACT_MASS>
204.072119084

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.4857847972601057

> <JCHEM_AVERAGE_POLARIZABILITY>
22.351536341291762

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6S)-6-phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole

> <ALOGPS_LOGP>
2.20

> <JCHEM_LOGP>
2.3582269016666664

> <ALOGPS_LOGS>
-2.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.975299007898726

> <JCHEM_POLAR_SURFACE_AREA>
15.6

> <JCHEM_REFRACTIVITY>
60.078400000000016

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.44e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00848

> <SECONDARY_ACCESSION_NUMBERS>
APRD01067

> <DRUG_GROUPS>
approved; investigational; vet_approved; withdrawn

> <GENERIC_NAME>
Levamisole

> <SYNONYMS>
Levamisol; Levamisole; Levamisolum

> <PRODUCTS>
Ergamisol Tab 50mg; Novo-levamisole

> <INTERNATIONAL_BRANDS>
Ergamisol; Ketrax

> <SALTS>
Levamisole hydrochloride; Levamisole phosphate; Levamisole resinate

$$$$