KEGG   COMPOUND: C07567Help
Entry
C07567                      Compound                               

Name
Sertindole
Formula
C24H26ClFN4O
Exact mass
440.1779
Mol weight
440.9408
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05A ANTIPSYCHOTICS
    N05AE Indole derivatives
     N05AE03 Sertindole
      D00561  Sertindole (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Sertindole
      D00561  Sertindole (USAN/INN)
   Dopamine
    dopamine D2-receptor
     Sertindole
      D00561  Sertindole (USAN/INN)
   Serotonin
    5-HT2A-receptor
     Sertindole
      D00561  Sertindole (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
106516-24-9
PubChem: 
ChEBI: 
ChEMBL: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C8y C    21.6003  -15.6682
            2   C8y C    19.3067  -15.6682
            3   C1y C    22.8375  -14.9445
            4   C8x C    21.6003  -16.9930
            5   C8y C    19.3067  -16.9930
            6   C8x C    18.1570  -15.0088
            7   C1x C    24.0863  -15.6624
            8   C1x C    22.8375  -13.5147
            9   N4y N    20.4505  -17.6524
            10  C8x C    18.1570  -17.6583
            11  C8y C    17.0248  -15.6682
            12  C1x C    25.3237  -14.9445
            13  C1x C    24.0806  -12.7910
            14  C8y C    20.4564  -18.9772
            15  C8x C    17.0248  -16.9930
            16  X   Cl   15.8985  -15.0145
            17  N1y N    25.3237  -13.5088
            18  C8x C    19.3125  -19.6308
            19  C8x C    21.6003  -19.6308
            20  C1b C    26.5549  -12.7793
            21  C8x C    19.3125  -20.9555
            22  C8x C    21.6003  -20.9555
            23  C1b C    27.8039  -13.4971
            24  C8y C    20.4564  -21.6093
            25  N1y N    29.0411  -12.7736
            26  X   F    20.4564  -22.9340
            27  C5x C    30.1733  -13.6489
            28  C1x C    29.5255  -11.4313
            29  N1x N    31.3580  -12.8494
            30  O5x O    30.2024  -15.0904
            31  C1x C    30.9552  -11.4079
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   10  15 2
            15   11  16 1
            16   12  17 1
            17   14  18 2
            18   14  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 2
            22   20  23 1
            23   21  24 2
            24   23  25 1
            25   24  26 1
            26   25  27 1
            27   25  28 1
            28   27  29 1
            29   27  30 2
            30   28  31 1
            31    5   9 1
            32   11  15 1
            33   13  17 1
            34   22  24 1
            35   29  31 1

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