KEGG   DRUG: Encaleret
Entry
D10068                      Drug                                   
Name
Encaleret (USAN)
Formula
C29H33ClFNO4
Exact mass
513.2082
Mol weight
514.02
Structure
Efficacy
Osteoporosis agent
Comment
Treatment of osteoporosis
Other DBs
CAS: 787583-71-5
PubChem: 135626788
LigandBox: D10068
LinkDB
KCF data

ATOM        36
            1   C8y C     9.5900  -19.1100
            2   C8y C     9.5900  -20.5100
            3   C8x C    10.8024  -21.2100
            4   C8y C    12.0149  -20.5100
            5   C8x C    12.0149  -19.1100
            6   C8x C    10.8024  -18.4100
            7   X   F     8.3776  -21.2100
            8   X   Cl    8.3776  -18.4100
            9   C1b C    13.2460  -21.2210
            10  C1d C    14.4512  -20.5253
            11  N1b N    15.6335  -21.2081
            12  C1b C    16.8275  -20.5188
            13  C1c C    18.0154  -21.2048
            14  C1b C    19.2065  -20.5171
            15  O2a O    20.3959  -21.2039
            16  C1c C    21.5862  -20.5166
            17  C1a C    22.7761  -21.2037
            18  C8y C    21.5864  -19.1102
            19  C8y C    22.7791  -18.4216
            20  C8x C    22.7790  -17.0216
            21  C8x C    21.5665  -16.3217
            22  C8x C    20.3739  -17.0103
            23  C8x C    20.3739  -18.4103
            24  C8y C    23.9647  -19.1061
            25  C8x C    23.9647  -20.5098
            26  C8x C    25.1771  -21.2098
            27  C8y C    26.3896  -20.5097
            28  C8y C    26.3895  -19.1061
            29  C8x C    25.1771  -18.4061
            30  C1a C    27.6006  -18.4068
            31  C6a C    27.6025  -21.2100
            32  O6a O    28.7979  -20.5196
            33  O6a O    27.6026  -22.6098
            34  C1a C    15.1512  -19.3129
            35  C1a C    13.7512  -19.3129
            36  O1a O    18.0155  -22.6098
BOND        38
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     1   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1 #Up
            18   16  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25   19  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   24  29 1
            32   28  30 1
            33   27  31 1
            34   31  32 1
            35   31  33 2
            36   10  34 1
            37   10  35 1
            38   13  36 1 #Down

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