KEGG   DRUG: Ninerafaxstat
Entry
D12372                      Drug                                   
Name
Ninerafaxstat (USAN/INN)
Formula
C22H29N3O5
Exact mass
415.2107
Mol weight
415.48
Structure
Efficacy
Fatty acid oxidation inhibitor
Comment
Treatment of ischemic cardiovascular disease
Other DBs
CAS: 2254741-41-6
PubChem: 497620785
LinkDB
KCF data

ATOM        30
            1   N5x N     7.4900   -7.6300
            2   C8x C     7.4900   -6.2300
            3   C8x C     8.6800   -5.5300
            4   C8x C     9.9400   -6.2300
            5   C8y C     9.9400   -7.6300
            6   C8x C     8.6800   -8.3300
            7   C7a C    11.1300   -8.3300
            8   O7a O    12.3200   -7.6300
            9   O6a O    11.1300   -9.7300
            10  C1b C    13.5100   -8.3300
            11  C1b C    14.7000   -7.6300
            12  N1y N    15.8900   -8.3300
            13  C1x C    17.0800   -7.6300
            14  C1x C    18.3400   -8.3300
            15  N1y N    18.3400   -9.7300
            16  C1x C    17.1500  -10.4300
            17  C1x C    15.8900   -9.7300
            18  C1b C    19.5300  -10.4300
            19  C8y C    20.7200   -9.7300
            20  C8x C    20.7200   -8.3300
            21  C8x C    21.9800   -7.6300
            22  C8y C    23.1700   -8.3300
            23  C8y C    23.1700   -9.7300
            24  C8y C    21.9800  -10.4300
            25  O2a O    21.9800  -11.8300
            26  O2a O    24.3600  -10.4300
            27  C1a C    25.5500   -9.7300
            28  O2a O    24.3600   -7.6300
            29  C1a C    25.5500   -8.3300
            30  C1a C    23.1700  -12.5300
BOND        32
            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     5   7 1
            8     7   8 1
            9     7   9 2
            10    8  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
            18   12  17 1
            19   15  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   24  25 1
            28   23  26 1
            29   26  27 1
            30   22  28 1
            31   28  29 1
            32   25  30 1

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