KEGG   COMPOUND: C10895
Entry
C10895                      Compound                               
Name
Azafenidin
Formula
C15H13Cl2N3O2
Exact mass
337.0385
Mol weight
338.1886
Structure
Other DBs
CAS: 68049-83-2
PubChem: 13078
ChEBI: 2943
NIKKAJI: J924.130B
KCF data

ATOM        22
            1   C1x C    22.2039  -18.8277
            2   C1x C    22.2039  -20.2276
            3   C1x C    23.4192  -20.9276
            4   C1x C    23.4192  -18.1277
            5   N4y N    24.6274  -18.8277
            6   C8y C    24.6217  -20.2310
            7   N5x N    25.9546  -20.6703
            8   N4y N    26.7838  -19.5383
            9   C8y C    25.9639  -18.3996
            10  C8y C    28.1838  -19.5441
            11  C8x C    28.8724  -20.7601
            12  C8y C    30.2723  -20.7659
            13  C8y C    30.9772  -19.5563
            14  C8x C    30.2823  -18.3412
            15  C8y C    28.8824  -18.3352
            16  O5x O    26.4020  -17.0700
            17  X   Cl   28.1851  -17.1213
            18  X   Cl   32.3771  -19.5623
            19  O2a O    30.9672  -21.9812
            20  C1b C    32.3671  -21.9869
            21  C3b C    33.0522  -23.1853
            22  C3a C    34.4522  -23.1853
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   6 1
            4     5   4 1
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  10 1
            11    5   6 1
            12    9  16 2
            13    6   7 2
            14   15  17 1
            15    7   8 1
            16   13  18 1
            17    8   9 1
            18   12  19 1
            19    9   5 1
            20   19  20 1
            21    4   1 1
            22    8  10 1
            23   20  21 1
            24   21  22 3

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