Mrv1572004121621362D          

 22 24  0  0  0  0            999 V2000
   -1.1485    0.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4365    0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4365   -0.6715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485   -1.0840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8646    0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622   -0.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6476   -0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1355   -0.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6515    0.4065    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2781    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789    1.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9923    0.1524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072    0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7066    1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    1.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1349    0.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    0.1484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2781   -1.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1475    1.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5608   -1.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7360   -1.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
 10 11  2  0  0  0  0
  3  4  1  0  0  0  0
 10 12  1  0  0  0  0
  5  6  2  0  0  0  0
 12 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  4  6  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  4 21  2  0  0  0  0
 22  4  2  0  0  0  0
M  END
> <DATABASE_ID>
DB00469

> <DATABASE_NAME>
drugbank

> <SMILES>
CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=CS2)S1(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)

> <INCHI_KEY>
LZNWYQJJBLGYLT-UHFFFAOYSA-N

> <FORMULA>
C13H11N3O4S2

> <MOLECULAR_WEIGHT>
337.37

> <EXACT_MASS>
337.019098194

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
31.957337348182968

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ⁶-thieno[2,3-e][1,2]thiazine-3-carboxamide

> <ALOGPS_LOGP>
2.42

> <JCHEM_LOGP>
-0.11589946271036078

> <ALOGPS_LOGS>
-3.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.729147039203982

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.2100077352605987

> <JCHEM_PKA_STRONGEST_BASIC>
4.259102273897464

> <JCHEM_POLAR_SURFACE_AREA>
99.6

> <JCHEM_REFRACTIVITY>
83.93339999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.57e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tenoxicam

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00469

> <SECONDARY_ACCESSION_NUMBERS>
APRD00011

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Tenoxicam

> <SYNONYMS>
Tenoxicam; Ténoxicam; Tenoxicamum

> <PRODUCTS>
Mobiflex Tab 20mg; Novo-tenoxicam Tab 20mg; Tenoxicam; Tenoxicam-20

> <INTERNATIONAL_BRANDS>
Mobiflex; Octiveran; Oxicam; Oxytel; Palitenox; Tenorix; Tenxil; Tilcotil; Tilflam; Tilko; Tilnoxcam; Tiloxican; Tobitil; Tonox; Toscacalm; Velasor; Vienoks; Voir; Xicotil; Zibelant; Zikaral

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