KEGG   DRUG: GepotidacinHelp
Entry
D10878                      Drug                                   

Name
Gepotidacin (USAN/INN)
Formula
C24H28N6O3
Exact mass
448.2223
Mol weight
448.5175
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01998
Efficacy
Antibacterial
Other DBs
CAS: 1075236-89-3
PubChem: 328082970
ChEMBL: CHEMBL3317856
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8x C    10.7800  -20.8600
            2   C8y C    10.7800  -19.4600
            3   N4y N    11.9700  -18.7600
            4   C8y C    13.2300  -19.4600
            5   C8y C    13.2300  -20.8600
            6   C8x C    11.9700  -21.5600
            7   N4y N    14.4200  -18.7600
            8   C8y C    15.6100  -19.4600
            9   C8x C    15.6100  -20.8600
            10  N5x N    14.4200  -21.5600
            11  O5x O     9.5900  -18.7600
            12  O5x O    16.8000  -18.7600
            13  C1x C    12.5300  -17.2900
            14  C1y C    13.9300  -17.2900
            15  C1b C    15.1200  -16.5900
            16  N1y N    15.1200  -15.1900
            17  C1x C    13.9300  -14.4900
            18  C1x C    13.9300  -13.0900
            19  C1y C    15.1200  -12.3900
            20  C1x C    16.3800  -13.0900
            21  C1x C    16.3800  -14.4900
            22  N1b N    15.1200  -10.9900
            23  C1b C    16.3100  -10.2900
            24  C8y C    17.5000  -10.9900
            25  C8x C    18.6900  -10.2900
            26  C8y C    19.9500  -10.9900
            27  C8y C    19.9500  -12.3900
            28  C8x C    18.7600  -13.0900
            29  N5x N    17.5000  -12.3900
            30  C1x C    21.1400  -10.2900
            31  C1x C    22.3300  -10.9900
            32  C1x C    22.3300  -12.3900
            33  O2x O    21.1400  -13.0900
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    2  11 2
            13    8  12 2
            14    3  13 1
            15   13  14 1
            16   14   7 1
            17   14  15 1 #Up
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   16  21 1
            25   19  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1
            34   26  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   27  33 1

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