KEGG   COMPOUND: C13852
Entry
C13852                      Compound                               
Name
Sipatrigine;
BW619C89
Formula
C15H16Cl3N5
Exact mass
371.0471
Mol weight
372.68
Structure
Other DBs
CAS: 130800-90-7
PubChem: 854097
ChEBI: 34977
NIKKAJI: J550.694H
KCF data

ATOM        23
            1   C8x C    22.5760  -22.7903
            2   C8y C    23.7896  -23.4901
            3   C8y C    25.0018  -22.7894
            4   C8y C    25.0011  -21.3893
            5   C8x C    23.7874  -20.6894
            6   C8y C    22.5753  -21.3902
            7   C8y C    26.2129  -20.6887
            8   C8y C    27.4243  -21.3874
            9   N5x N    28.6365  -20.6866
            10  C8y C    28.6358  -19.2865
            11  N5x N    27.4244  -18.5880
            12  C8x C    26.2122  -19.2886
            13  N1y N    29.8487  -18.5853
            14  C1x C    31.0602  -19.2840
            15  C1x C    32.2725  -18.5833
            16  N1y N    32.2717  -17.1832
            17  C1x C    31.0602  -16.4845
            18  C1x C    29.8480  -17.1852
            19  X   Cl   26.2144  -23.4887
            20  X   Cl   23.7903  -24.8902
            21  X   Cl   21.3613  -20.6901
            22  C1a C    33.4846  -16.4820
            23  N1a N    27.4251  -22.7870
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   13  18 1
            21    3  19 1
            22    2  20 1
            23    6  21 1
            24   16  22 1
            25    8  23 1

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