KEGG   COMPOUND: C11743Help
Entry
C11743                      Compound                               

Name
SB 243213
Formula
C22H19F3N4O2
Exact mass
428.146
Mol weight
428.4071
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 13908
ChEBI: 8980
ChEMBL: CHEMBL14460
NIKKAJI: J1.079.946E
KCF data Show

ATOM        31
            1   N1y N    13.5208   -6.4387
            2   C5a C    13.2551   -5.6536
            3   N1b N    12.4461   -5.4964
            4   O5a O    13.8018   -5.0334
            5   C1x C    13.0426   -7.1152
            6   C1x C    13.5368   -7.7810
            7   C8y C    14.3118   -6.6893
            8   C8y C    14.3212   -7.5130
            9   C8x C    15.0387   -7.9158
            10  C8x C    15.0200   -6.2683
            11  C8y C    15.7406   -6.6738
            12  C8y C    15.7516   -7.4994
            13  C8y C    11.7349   -5.9145
            14  C8x C    11.0198   -5.5080
            15  C8x C    10.3086   -5.9261
            16  C8y C    10.3150   -6.7511
            17  N5x N    11.0327   -7.1580
            18  C8x C    11.7439   -6.7399
            19  C1d C    16.4500   -6.2526
            20  X   F    17.1583   -5.8333
            21  X   F    16.8542   -6.9625
            22  X   F    16.0292   -5.5333
            23  O2a O     9.6038   -7.1692
            24  C8y C     8.8861   -6.7623
            25  C8x C     8.8828   -5.9417
            26  C8x C     8.1651   -5.5348
            27  C8x C     7.4539   -5.9529
            28  N5x N     7.4604   -6.7778
            29  C8y C     8.1781   -7.1847
            30  C1a C     8.1872   -8.0097
            31  C1a C    16.4698   -7.9054
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   16  23 1
            19   11  10 2
            20   23  24 1
            21   10   7 1
            22   11  12 1
            23    3  13 1
            24    1   2 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   27  28 1
            29   28  29 2
            30   29  24 1
            31    1   5 1
            32   29  30 1
            33    5   6 1
            34   12  31 1

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