KEGG   DRUG: Clonixin
Entry
D03555                      Drug                                   
Name
Clonixin (USAN/INN)
Formula
C13H11ClN2O2
Exact mass
262.0509
Mol weight
262.6916
Structure
Simcomp
Remark
Chemical structure group: DG01531
Efficacy
Analgesic
Other DBs
CAS: 17737-65-4
PubChem: 17397675
ChEBI: 76200
PDB-CCD: 6J3[PDBj]
LigandBox: D03555
NIKKAJI: J10.188E
KCF data

ATOM        18
            1   N5x N    17.1794  -18.0639
            2   C8y C    17.1794  -16.6616
            3   C8y C    15.9650  -15.9603
            4   C8x C    14.7504  -16.6616
            5   C8x C    14.7504  -18.0639
            6   C8x C    15.9650  -18.7650
            7   C6a C    15.9650  -14.5580
            8   O6a O    14.7498  -13.8564
            9   O6a O    17.1787  -13.8572
            10  N1b N    18.3938  -15.9603
            11  C8y C    19.6088  -16.6620
            12  C8x C    19.6088  -18.0639
            13  C8x C    20.8233  -18.7650
            14  C8x C    22.0379  -18.0639
            15  C8y C    22.0379  -16.6620
            16  C8y C    20.8233  -15.9607
            17  C1a C    20.8234  -14.5580
            18  X   Cl   23.2547  -15.9593
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 2
            9     7   9 1
            10    2  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   11  16 2
            18   16  17 1
            19   15  18 1

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  All links  
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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