KEGG   COMPOUND: C01865Help
Entry
C01865                      Compound                               

Name
Zopolrestat
Formula
C19H12F3N3O3S
Exact mass
419.0551
Mol weight
419.3771
Structure
Mol fileKCF fileDB search
Remark
Same as: D02328
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    AKR1B1
     D02328  Zopolrestat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 110703-94-1
PubChem: 4979
ChEMBL: CHEMBL10372
PDB-CCD: ZST[PDBj]
NIKKAJI: J360.579E
KCF data Show

ATOM        29
            1   C8y C    20.0610  -17.7222
            2   C8y C    20.0553  -19.1263
            3   C8y C    21.2837  -17.0319
            4   C8x C    18.8560  -17.0262
            5   C8y C    21.2662  -19.8342
            6   C8x C    18.8560  -19.8283
            7   N5x N    22.4889  -17.7222
            8   C1b C    21.2720  -15.6339
            9   C8x C    17.6391  -17.7222
            10  N4y N    22.4772  -19.1263
            11  O5x O    21.2603  -21.2265
            12  C8x C    17.6391  -19.1263
            13  C6a C    22.4772  -14.9261
            14  C1b C    23.6881  -19.8342
            15  O6a O    23.6939  -15.6279
            16  O6a O    22.4829  -13.5278
            17  C8y C    24.9048  -19.1322
            18  N5x N    25.0570  -17.7399
            19  S2x S    26.1860  -19.7054
            20  C8y C    26.4200  -17.4474
            21  C8y C    27.1220  -18.6641
            22  C8x C    27.1279  -16.2305
            23  C8x C    28.5200  -18.6641
            24  C8y C    28.5260  -16.2365
            25  C8x C    29.2163  -17.4474
            26  C1d C    29.5145  -15.2420
            27  X   F    30.5045  -14.2520
            28  X   F    28.5450  -14.2752
            29  X   F    30.5277  -16.2522
BOND        32
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    8  13 1
            13   10  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 2
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 2
            24   23  25 2
            25   24  26 1
            26    7  10 1
            27    9  12 1
            28   20  21 2
            29   24  25 1
            30   26  27 1
            31   26  28 1
            32   26  29 1

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