KEGG   DRUG: NylestriolHelp
Entry
D05212                      Drug                                   

Name
Nylestriol (USAN);
Nilestriol (INN)
Formula
C25H32O3
Exact mass
380.2351
Mol weight
380.5198
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Efficacy
Replenisher (estrogen)
Comment
Estrogen
Interaction
Drug interaction
Other DBs
CAS: 39791-20-3
PubChem: 47206931
ChEMBL: CHEMBL2104468
LigandBox: D05212
NIKKAJI: J16.450J
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8y C    31.6581  -18.0945
            2   C8y C    31.6522  -19.4765
            3   C8x C    30.4708  -17.3975
            4   C8x C    30.4708  -20.1676
            5   C8x C    29.2599  -18.0945
            6   C8y C    29.2599  -19.4765
            7   O2a O    28.0551  -20.1618
            8   C1y C    26.8418  -19.4510
            9   C1x C    26.8418  -18.0510
            10  C1x C    25.5103  -17.6183
            11  C1x C    24.6874  -18.7510
            12  C1x C    25.5103  -19.8836
            13  C1x C    32.8616  -20.1817
            14  C1x C    34.0770  -19.4868
            15  C1y C    34.0829  -18.1049
            16  C1y C    32.8735  -17.3997
            17  C1y C    35.2983  -17.4100
            18  C1z C    35.3043  -16.0101
            19  C1x C    34.0949  -15.3049
            20  C1x C    32.8795  -15.9997
            21  C1x C    37.7232  -17.4204
            22  C1y C    37.7292  -16.0204
            23  C1z C    36.5197  -15.3152
            24  C1a C    35.3043  -14.6101
            25  O1a O    36.5197  -13.6352
            26  C3b C    37.7322  -14.6152
            27  O1a O    38.9411  -15.3276
            28  C3a C    38.9446  -13.9152
BOND        32
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     6   7 1
            7     5   6 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    8  12 1
            14    2  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18    1  16 1
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   16  20 1
            24   17  21 1
            25   21  22 1
            26   22  23 1
            27   18  23 1
            28   18  24 1 #Up
            29   23  25 1 #Up
            30   23  26 1 #Down
            31   22  27 1 #Down
            32   26  28 3

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