KEGG   DRUG: FlumizoleHelp
Entry
D04211                      Drug                                   

Name
Flumizole (USAN/INN)
Formula
C18H15F3N2O2
Exact mass
348.1086
Mol weight
348.3191
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory
Other DBs
CAS: 36740-73-5
PubChem: 47206157
ChEMBL: CHEMBL430150
LigandBox: D04211
NIKKAJI: J19.861G
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8x C    29.4252  -14.9287
            2   C8x C    29.4252  -16.3282
            3   C8y C    30.6402  -17.0279
            4   C8y C    30.6402  -14.2289
            5   C8y C    31.8480  -14.9287
            6   C8y C    31.8422  -16.3316
            7   N5x N    33.1746  -16.7707
            8   C8y C    34.0036  -15.6391
            9   N4x N    33.1839  -14.5007
            10  C8x C    30.6416  -12.8293
            11  C8x C    29.4302  -12.1282
            12  C8y C    28.2153  -12.8280
            13  C8x C    28.2138  -14.2276
            14  C8x C    28.2138  -17.0292
            15  C8y C    28.2153  -18.4288
            16  C8x C    29.4302  -19.1285
            17  C8x C    30.6416  -18.4275
            18  O2a O    26.9869  -12.1173
            19  C1a C    25.8010  -12.8007
            20  O2a O    27.0075  -19.1277
            21  C1a C    25.7910  -18.4270
            22  C1d C    35.4131  -15.5752
            23  X   F    36.8127  -15.5752
            24  X   F    35.4100  -17.0046
            25  X   F    35.4161  -14.2053
BOND        27
            1     7   8 2
            2     8   9 1
            3     9   5 1
            4     4   1 1
            5     2   3 1
            6     3   6 1
            7     5   4 1
            8     5   6 2
            9     6   7 1
            10    4  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    1  13 2
            15    2  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19    3  17 2
            20   12  18 1
            21   18  19 1
            22   15  20 1
            23   20  21 1
            24    8  22 1
            25   22  23 1
            26   22  24 1
            27   22  25 1

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