KEGG   COMPOUND: C22702
Entry
C22702                      Compound                               
Name
AB-CHMINACA;
N-[(2S)-1-Amino-3-methyl-1-oxobutan-2-yl]-1-cyclohexylmethyl-1H-indazole-3-carboxamide
Formula
C20H28N4O2
Exact mass
356.2212
Mol weight
356.4619
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (157 substances)
  C22702
Other DBs
CAS: 1185887-21-1
LinkDB
KCF data

ATOM        26
            1   C1c C    20.6959  -13.2737
            2   N1a N    20.4855  -10.8892
            3   C5a C    19.9244  -12.1516
            4   C1c C    22.0984  -13.2737
            5   C1a C    22.7997  -14.3958
            6   C1a C    22.7997  -12.0113
            7   O5a O    18.5218  -12.1516
            8   C8x C    14.3843  -16.3593
            9   C8x C    14.3843  -17.7619
            10  C8x C    15.5765  -18.4632
            11  C8y C    16.8387  -17.7619
            12  C8y C    16.8387  -16.3593
            13  C8x C    15.5765  -15.6581
            14  N4y N    18.1712  -18.1827
            15  N5x N    19.0829  -17.0607
            16  C8y C    18.1712  -15.9386
            17  C1b C    18.7323  -19.4450
            18  N1b N    20.0647  -14.5360
            19  C5a C    18.7323  -14.6763
            20  O5a O    17.8907  -13.6243
            21  C1y C    20.1349  -19.5853
            22  C1x C    20.6959  -20.9177
            23  C1x C    22.0984  -21.0580
            24  C1x C    22.9399  -19.8658
            25  C1x C    22.3088  -18.6035
            26  C1x C    20.9764  -18.4632
BOND        28
            1     2   3 1
            2     1   3 1
            3     1   4 1
            4     4   5 1
            5     4   6 1
            6     3   7 2
            7     8   9 2
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   12  13 2
            12    8  13 1
            13   11  14 1
            14   15  16 2
            15   12  16 1
            16   14  17 1
            17   18  19 1
            18   16  19 1
            19   19  20 2
            20   14  15 1
            21   17  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   21  26 1
            28    1  18 1 #Down

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