469
  Mrv0541 02231214422D          

 22 24  0  0  1  0            999 V2000
    5.2224    1.7053    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7176    0.2164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    2.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    2.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    1.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.7697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -2.0073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    1.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7176    1.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1991    0.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  5 13  2  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 18  1  0  0  0  0
  9 21  2  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 14 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00469

> <DATABASE_NAME>
drugbank

> <SMILES>
CN1\C(=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/h2-7,18H,1H3,(H,14,15)/b13-10-

> <INCHI_KEY>
InChIKey=WZWYJBNHTWCXIM-RAXLEYEMSA-N

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
31.083696750080794

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_EXACT_MASS>
337.019097235

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C13H11N3O4S2

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3Z)-3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-2H,3H,4H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1,4-trione

> <ALOGPS_LOGP>
1.82

> <JCHEM_LOGP>
1.2218269856666666

> <ALOGPS_LOGS>
-3.09

> <JCHEM_MASS>
337.374

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.631263884789849

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.207648848151218

> <JCHEM_PKA_STRONGEST_BASIC>
4.781645705752465

> <JCHEM_POLAR_SURFACE_AREA>
99.6

> <JCHEM_REFRACTIVITY>
93.05910000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.77e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3Z)-3-[hydroxy(pyridin-2-ylamino)methylidene]-2-methyl-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-1,1,4-trione

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00469

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Tenoxicam

> <SYNONYMS>
Tenoxicam; Ténoxicam; Tenoxicamum

> <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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