KEGG   COMPOUND: C15625Help
Entry
C15625                      Compound                               

Name
GW 0742
Formula
C21H17F4NO3S2
Exact mass
471.0586
Mol weight
471.4882
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 317318-84-6
PubChem: 17396615
ChEBI: 79991
ChEMBL: CHEMBL38508
PDB-CCD: GW0[PDBj]
NIKKAJI: J2.054.791J
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8y C    20.9612  -19.8012
            2   N5x N    22.0918  -20.5785
            3   C8y C    23.2225  -19.8012
            4   C8y C    22.7985  -18.4585
            5   S2x S    21.4558  -18.4585
            6   C8y C    19.7599  -20.5078
            7   C1b C    24.0705  -17.7518
            8   S2a S    25.2718  -18.4585
            9   C8y C    26.4731  -17.7518
            10  C8x C    27.6745  -18.4585
            11  C8y C    28.9464  -17.7518
            12  C8y C    28.9464  -16.3385
            13  C8x C    27.7451  -15.6319
            14  C8x C    26.4731  -16.3385
            15  O2a O    30.1478  -15.6319
            16  C1b C    31.3491  -16.3385
            17  C6a C    32.5504  -15.6319
            18  O6a O    33.7517  -16.3385
            19  O6a O    32.5504  -14.2185
            20  C8x C    17.2865  -20.5078
            21  C8y C    17.2865  -21.9211
            22  C8y C    18.4879  -22.6278
            23  C8x C    19.7599  -21.9211
            24  C8x C    18.4879  -19.8012
            25  X   F    18.4879  -24.0411
            26  C1d C    16.0852  -22.6278
            27  X   F    14.8839  -21.9211
            28  X   F    16.4386  -23.9705
            29  X   F    15.0959  -23.6171
            30  C1a C    30.1904  -18.4835
            31  C1a C    24.5647  -20.2628
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    9  14 2
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23   6 2
            25    6  24 1
            26   20  24 2
            27   22  25 1
            28   21  26 1
            29   26  27 1
            30   26  28 1
            31   26  29 1
            32   11  30 1
            33    3  31 1

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