KEGG   DRUG: RelugolixHelp
Entry
D10888                      Drug                                   

Name
Relugolix (JAN/INN)
Formula
C29H27F2N7O5S
Exact mass
623.1762
Mol weight
623.6304
Structure
Mol fileKCF fileDB search
Efficacy
Anti-endometriosis, Antineoplastic, Gonadotropin-releasing hormone receptor antagonist
Other DBs
CAS: 737789-87-6
PubChem: 336445206
ChEMBL: CHEMBL1800159
LinkDB All DBs
KCF data Show

ATOM        44
            1   C8y C    20.1906  -21.2472
            2   N4y N    20.1906  -19.8560
            3   C8y C    19.0081  -19.1604
            4   C8y C    17.7560  -19.8560
            5   C8y C    17.7560  -21.2472
            6   N4y N    19.0081  -21.9428
            7   C8y C    16.4343  -19.4386
            8   C8y C    15.6692  -20.5516
            9   S2x S    16.4343  -21.6645
            10  O5x O    19.0081  -17.7692
            11  O5x O    21.3731  -21.9428
            12  C8y C    21.3731  -19.1604
            13  C8x C    22.5557  -19.8560
            14  C8x C    23.8077  -19.1604
            15  C8y C    23.8077  -17.7692
            16  N5x N    22.6252  -17.0735
            17  N5x N    21.3731  -17.7692
            18  O2a O    24.9903  -17.0735
            19  C1a C    26.1728  -17.7692
            20  C1b C    19.0081  -24.3100
            21  C8y C    14.2779  -20.5516
            22  C8x C    13.5823  -19.3690
            23  C8x C    12.1911  -19.3690
            24  C8y C    11.4955  -20.5516
            25  C8x C    12.1911  -21.7341
            26  C8x C    13.5823  -21.7341
            27  N1b N    10.1043  -20.5516
            28  C1b C    16.0170  -18.1170
            29  N1c N    14.6283  -17.8381
            30  C1a C    13.5161  -18.6562
            31  C1a C    14.5129  -16.4569
            32  C8y C    20.2352  -25.0190
            33  C8y C    20.2347  -26.3900
            34  C8x C    21.4468  -27.0905
            35  C8x C    22.6595  -26.3909
            36  C8x C    22.6601  -25.0200
            37  C8y C    21.4479  -24.3195
            38  X   F    19.0185  -27.0916
            39  X   F    21.4490  -22.8903
            40  C5a C     9.3912  -21.7988
            41  N1b N     7.9804  -21.8050
            42  O5a O    10.0811  -22.9818
            43  O2a O     7.2596  -20.5696
            44  C1a C     5.8800  -20.5761
BOND        48
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    3  10 2
            12    1  11 2
            13    2  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   15  18 1
            21   18  19 1
            22    6  20 1
            23    8  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   24  27 1
            31    7  28 1
            32   28  29 1
            33   29  30 1
            34   29  31 1
            35   20  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   35  36 1
            40   36  37 2
            41   32  37 1
            42   33  38 1
            43   37  39 1
            44   27  40 1
            45   40  41 1
            46   40  42 2
            47   41  43 1
            48   43  44 1

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