KEGG   DRUG: Clostebol
Entry
D07731                      Drug                                   
Name
Clostebol (INN)
Formula
C19H27ClO2
Exact mass
322.17
Mol weight
322.8695
Structure
Simcomp
Class
Hormonal agent
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Remark
Chemical structure group: DG01632
Efficacy
Anabolic
Comment
Androstene derivative
Interaction
Brite
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    DG01632  Clostebol
     D07731  Clostebol
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    DG01632  Clostebol
Other DBs
CAS: 1093-58-9
PubChem: 51092027
LigandBox: D07731
NIKKAJI: J7.255I
LinkDB
KCF data

ATOM        22
            1   C1x C    22.8212  -18.5521
            2   C5x C    22.8212  -19.9523
            3   C2y C    24.0337  -20.6524
            4   C2y C    25.2464  -19.9523
            5   C1z C    25.2464  -18.5521
            6   C1x C    24.0337  -17.8521
            7   C1x C    26.4589  -20.6524
            8   C1x C    27.6715  -19.9523
            9   C1y C    27.6715  -18.5521
            10  C1y C    26.4589  -17.8521
            11  C1y C    28.8841  -17.8521
            12  C1z C    28.8841  -16.4519
            13  C1x C    27.6715  -15.7518
            14  C1x C    26.4589  -16.4519
            15  O5x O    21.6087  -20.6524
            16  C1a C    25.2464  -17.1520
            17  C1a C    28.8841  -15.0518
            18  X   Cl   24.0337  -22.0523
            19  C1x C    31.3089  -17.8521
            20  C1x C    31.3089  -16.4519
            21  C1y C    30.0965  -15.7519
            22  O1a O    30.0965  -14.3500
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    2  15 2
            18    5  16 1 #Up
            19   12  17 1 #Up
            20    3  18 1
            21   11  19 1
            22   19  20 1
            23   20  21 1
            24   12  21 1
            25   21  22 1 #Up

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