KEGG   DRUG: Roluperidone
Entry
D11258                      Drug                                   
Name
Roluperidone (USAN/INN)
Formula
C22H23FN2O2
Exact mass
366.1744
Mol weight
366.43
Structure
Simcomp
Remark
Chemical structure group: DG02958
Efficacy
Antipsychotic
Comment
Treatment of schizophrenia
Other DBs
CAS: 359625-79-9
PubChem: 384585236
PDB-CCD: YT7[PDBj]
LinkDB
KCF data

ATOM        27
            1   N1y N    22.4700  -14.9800
            2   C5x C    22.8900  -16.3100
            3   C8y C    24.2900  -16.3100
            4   C8y C    24.7100  -14.9800
            5   C1x C    23.5900  -14.1400
            6   C8x C    25.2000  -17.3600
            7   C8x C    26.6000  -17.0800
            8   C8x C    27.0200  -15.7500
            9   C8x C    26.1100  -14.7000
            10  C1b C    21.2800  -14.2800
            11  C1y C    20.0900  -14.9800
            12  C1x C    18.8719  -14.2899
            13  C1x C    17.7352  -14.9997
            14  N1y N    17.6766  -16.3997
            15  C1x C    18.8947  -17.0898
            16  C1x C    20.1014  -16.3800
            17  C1b C    16.4864  -17.0603
            18  C5a C    15.3194  -16.3600
            19  C8y C    14.0951  -17.0395
            20  O5a O    15.3428  -14.9801
            21  C8x C    12.8631  -16.3006
            22  C8x C    11.6391  -16.9803
            23  C8y C    11.6158  -18.3801
            24  C8x C    12.8478  -19.1190
            25  C8x C    14.0717  -18.4393
            26  X   F    10.3825  -19.0647
            27  O5x O    22.0624  -17.4392
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    4   9 2
            11   10   1 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 1
            19   14  17 1
            20   17  18 1
            21   18  19 1
            22   18  20 2
            23   19  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   19  25 1
            29   23  26 1
            30    2  27 2

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