KEGG   DRUG: BolmantalateHelp
Entry
D03147                      Drug                                   

Name
Bolmantalate (USAN/INN)
Formula
C29H40O3
Exact mass
436.2977
Mol weight
436.6261
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Efficacy
Anabolic
Comment
Estrene derivative
Interaction
Drug interaction
Other DBs
CAS: 1491-81-2
PubChem: 17397301
ChEMBL: CHEMBL2104237
LigandBox: D03147
NIKKAJI: J7.502G
LinkDB All DBs
KCF data Show

ATOM        32
            1   C1z C    19.2663  -16.2035
            2   C1y C    20.4409  -15.5817
            3   C1y C    19.2663  -17.5854
            4   C1x C    18.0917  -15.5126
            5   C1a C    19.2663  -14.8907
            6   C1x C    21.6155  -16.2035
            7   C1y C    18.0917  -18.2072
            8   C1x C    21.6164  -17.5854
            9   C1x C    16.9171  -16.2035
            10  C1y C    16.9171  -17.5854
            11  C1x C    18.0917  -19.5891
            12  C1y C    15.7425  -18.2072
            13  C1x C    16.9171  -20.2801
            14  C2y C    15.7425  -19.5891
            15  C1x C    14.5679  -17.5163
            16  C2x C    14.5679  -20.2801
            17  C1x C    13.3933  -18.2072
            18  C5x C    13.3933  -19.5891
            19  O5x O    12.2187  -20.2801
            20  O7a O    20.4409  -14.1307
            21  C7a C    21.6155  -13.4397
            22  C1z C    22.7901  -14.1307
            23  O6a O    21.6155  -12.0577
            24  C1y C    23.9647  -12.1959
            25  C1x C    23.2738  -13.5779
            26  C1y C    23.2738  -14.8216
            27  C1y C    25.0702  -14.1307
            28  C1x C    21.6846  -15.2362
            29  C1x C    24.3793  -15.8580
            30  C1x C    22.7901  -12.8178
            31  C1x C    23.9647  -14.7525
            32  C1x C    25.0702  -12.8178
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     7  10 1
            10    7  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   12  15 1
            15   14  16 2
            16   15  17 1
            17   16  18 1
            18   18  19 2
            19    6   8 1
            20    9  10 1
            21   13  14 1
            22   17  18 1
            23    2  20 1 #Up
            24   20  21 1
            25   21  22 1
            26   21  23 2
            27   24  25 1
            28   25  26 1
            29   30  22 1
            30   22  31 1
            31   31  27 1
            32   27  32 1
            33   32  24 1
            34   24  30 1
            35   26  28 1
            36   26  29 1
            37   22  28 1
            38   27  29 1

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