KEGG   DRUG: PretomanidHelp
Entry
D10722                      Drug                                   

Name
Pretomanid (USAN/INN)
Formula
C14H12F3N3O5
Exact mass
359.0729
Mol weight
359.2574
Structure
Mol fileKCF fileDB search
Efficacy
Antibacterial (tuberculostatic)
Comment
Treatment of tuberculosis
Other DBs
CAS: 187235-37-6
PubChem: 254741683
ChEMBL: CHEMBL227875
LinkDB All DBs
KCF data Show

ATOM        25
            1   N2b N     7.2800  -16.4500 #+
            2   O3a O     7.2800  -17.8500
            3   O3a O     6.0676  -15.7500 #-
            4   C8y C     8.3399  -15.7401
            5   C8x C     9.6483  -16.2211
            6   N4y N    10.5102  -15.1254
            7   C8y C     9.7345  -13.9672
            8   N5x N     8.3932  -14.3470
            9   C1x C    11.9071  -15.0324
            10  C1y C    12.5250  -13.7761
            11  C1x C    11.7492  -12.6178
            12  O2x O    10.3523  -12.7109
            13  O2a O    13.9250  -13.7761
            14  C1b C    14.6250  -14.9885
            15  C8y C    16.0250  -14.9885
            16  C8x C    16.7225  -16.1967
            17  C8x C    18.1225  -16.1967
            18  C8y C    18.8225  -14.9842
            19  C8x C    18.1249  -13.7760
            20  C8x C    16.7249  -13.7761
            21  O2a O    20.2225  -14.9842
            22  C1d C    20.9225  -16.1967
            23  X   F    21.6225  -17.4091
            24  X   F    22.1350  -15.4967
            25  X   F    19.7101  -16.8967
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 1
            7     7   8 2
            8     4   8 1
            9     6   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1 #Up
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 1
            27   22  25 1

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