KEGG   COMPOUND: C11797Help
Entry
C11797                      Compound                               

Name
Tifluadom
Formula
C22H20FN3OS
Exact mass
393.1311
Mol weight
393.4771
Structure
Mol fileKCF fileDB search
Remark
Same as: D02694
Other DBs
CAS: 83386-35-0
PubChem: 13961
ChEBI: 9591
ChEMBL: CHEMBL169703
NIKKAJI: J33.075B
KCF data Show

ATOM        28
            1   C8y C    28.2001  -15.3634
            2   N1y N    29.4623  -14.7669
            3   C1y C    30.7236  -15.3759
            4   C1x C    31.0299  -16.7320
            5   C8y C    27.8850  -16.7368
            6   N2x N    30.1606  -17.8329
            7   C2y C    28.7591  -17.8310
            8   C8x C    27.1749  -14.4100
            9   C8x C    25.8365  -14.8210
            10  C8x C    25.5213  -16.1944
            11  C8x C    26.5466  -17.1480
            12  C8y C    28.1455  -19.1040
            13  C8x C    26.7454  -19.1040
            14  C8x C    26.0454  -20.3166
            15  C8x C    26.7454  -21.5290
            16  C8x C    28.1455  -21.5290
            17  C8y C    28.8455  -20.3166
            18  X   F    30.2417  -20.3165
            19  C1a C    29.4681  -13.3715
            20  C1b C    31.9443  -14.7016
            21  N1b N    33.1569  -15.4016
            22  C5a C    34.3694  -14.7016
            23  C8y C    35.5819  -15.4016
            24  O5a O    34.3694  -13.3015
            25  C8x C    35.5819  -16.8016
            26  S2x S    36.9134  -17.2343
            27  C8x C    37.7363  -16.1016
            28  C8x C    36.9134  -14.9690
BOND        31
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     1   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    5  11 1
            13    7  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   17  18 1
            21    2  19 1
            22    3  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   22  24 2
            27   23  25 2
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   23  28 1

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