KEGG   COMPOUND: C11742
Entry
C11742                      Compound                               
Name
SB 228357
Formula
C22H17F4N3O2
Exact mass
431.1257
Mol weight
431.3829
Structure
Other DBs
PubChem: 13907
ChEBI: 8979
NIKKAJI: J1.060.588A
LinkDB
KCF data

ATOM        31
            1   N1y N    10.8708   -6.2929
            2   C5a C    10.6051   -5.5078
            3   N1b N     9.7961   -5.3506
            4   O5a O    11.1518   -4.8875
            5   C1x C    10.3926   -6.9694
            6   C1x C    10.8868   -7.6352
            7   C8y C    11.6618   -6.5435
            8   C8y C    11.6712   -7.3672
            9   C8x C    12.3887   -7.7699
            10  C8x C    12.3700   -6.1225
            11  C8y C    13.0906   -6.5280
            12  C8y C    13.1016   -7.3536
            13  C8y C     9.0849   -5.7687
            14  C8x C     8.3698   -5.3622
            15  C8y C     7.6586   -5.7803
            16  C8x C     7.6650   -6.6053
            17  C8y C     8.3827   -7.0122
            18  C8x C     9.0939   -6.5941
            19  C1d C    13.8000   -6.1068
            20  X   F    14.5083   -5.6875
            21  X   F    14.2042   -6.8167
            22  X   F    13.3792   -5.3875
            23  O2a O    13.8198   -7.7595
            24  C1a C    13.8274   -8.5845
            25  C8y C     8.3892   -7.8371
            26  C8x C     7.6806   -8.2515
            27  C8x C     7.6871   -9.0765
            28  C8x C     8.4048   -9.4834
            29  N5x N     9.1160   -9.0653
            30  C8x C     9.1095   -8.2403
            31  X   F     6.9409   -5.3734
BOND        34
            1     6   8 1
            2     7   1 1
            3    13  14 2
            4    14  15 1
            5    15  16 2
            6    16  17 1
            7    17  18 2
            8    18  13 1
            9     2   3 1
            10   11  19 1
            11    2   4 2
            12   19  20 1
            13    7   8 2
            14   19  21 1
            15    8   9 1
            16   19  22 1
            17    9  12 2
            18   12  23 1
            19   11  10 2
            20   23  24 1
            21   10   7 1
            22   17  25 1
            23   11  12 1
            24    3  13 1
            25    1   2 1
            26    1   5 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   30  25 1
            33    5   6 1
            34   15  31 1

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