KEGG   DRUG: BalapiravirHelp
Entry
D09582                      Drug                                   

Name
Balapiravir (USAN/INN)
Formula
C21H30N6O8
Exact mass
494.2125
Mol weight
494.4983
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antiviral
Comment
Treatment of Dengue virus infection
Other DBs
CAS: 690270-29-2
PubChem: 124490322
ChEMBL: CHEMBL550936
LigandBox: D09582
LinkDB All DBs
KCF data Show

ATOM        35
            1   C1z C    27.1600  -28.4200
            2   C1y C    27.5800  -29.7500
            3   C1y C    28.9800  -29.7500
            4   C1y C    29.4000  -28.4200
            5   O2x O    28.2800  -27.5800
            6   N4y N    30.5900  -27.7200
            7   C1b C    25.9700  -27.7200
            8   O7a O    30.1700  -30.4500
            9   O7a O    26.3900  -30.4500
            10  C8x C    31.7800  -28.4200
            11  C8x C    33.0400  -27.7200
            12  C8y C    33.0400  -26.3200
            13  N5x N    31.7800  -25.6200
            14  C8y C    30.5900  -26.3200
            15  O5x O    29.4000  -25.6200
            16  N1a N    34.2300  -25.6200
            17  C7a C    30.1700  -31.8500
            18  C7a C    26.3900  -31.8500
            19  O6a O    28.9800  -32.5500
            20  C1c C    31.3600  -32.5500
            21  O6a O    27.5800  -32.5500
            22  C1c C    25.2000  -32.5500
            23  C1a C    32.6200  -31.8500
            24  C1a C    31.3600  -33.9500
            25  C1a C    23.9400  -31.8500
            26  C1a C    25.2000  -33.9500
            27  N0  N    24.7800  -28.4200 #+
            28  N2b N    25.9700  -29.1200
            29  N2a N    23.3800  -29.3300 #-
            30  O7a O    25.9700  -26.3200
            31  C7a C    24.7576  -25.6200
            32  C1c C    23.5621  -26.3104
            33  O6a O    24.7575  -24.2202
            34  C1a C    22.3747  -25.6249
            35  C1a C    23.5620  -27.7197
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 1 #Up
            7     1   7 1 #Up
            8     3   8 1 #Down
            9     2   9 1 #Down
            10    6  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    6  14 1
            16   14  15 2
            17   12  16 1
            18    8  17 1
            19    9  18 1
            20   17  19 2
            21   17  20 1
            22   18  21 2
            23   18  22 1
            24   20  23 1
            25   20  24 1
            26   22  25 1
            27   22  26 1
            28   27  28 2
            29    1  28 1 #Down
            30   27  29 2
            31    7  30 1
            32   30  31 1
            33   31  32 1
            34   31  33 2
            35   32  34 1
            36   32  35 1

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