KEGG   COMPOUND: C15554Help
Entry
C15554                      Compound                               

Name
EXP 3174
Formula
C22H21ClN6O2
Exact mass
436.1415
Mol weight
436.8941
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 124750-92-1
PubChem: 17396546
ChEBI: 74125
ChEMBL: CHEMBL907
NIKKAJI: J356.046E
KCF data Show

ATOM        31
            1   N4y N    27.0420  -17.4792
            2   C8y C    27.4628  -18.7884
            3   C8y C    28.1642  -16.6376
            4   C1b C    25.8263  -16.7778
            5   N5x N    28.8655  -18.7884
            6   C1b C    26.6212  -19.9573
            7   C8y C    29.2863  -17.4792
            8   C6a C    28.1642  -15.2349
            9   C8y C    24.6107  -17.5260
            10  C1b C    27.2290  -21.2197
            11  X   Cl   30.6422  -17.0584
            12  O6a O    29.3798  -14.5335
            13  C8x C    24.6107  -18.9286
            14  C8x C    23.3951  -16.8246
            15  C1b C    26.3874  -22.3418
            16  C8x C    23.4417  -19.6300
            17  C8x C    22.2261  -17.6194
            18  C1a C    26.9484  -23.6509
            19  C8y C    22.2261  -18.9754
            20  C8y C    21.0105  -19.6768
            21  C8y C    19.7948  -18.9754
            22  C8x C    21.0105  -21.0794
            23  C8y C    19.7948  -17.5727
            24  C8x C    18.5792  -19.7235
            25  C8x C    19.8416  -21.7808
            26  N4x N    18.6726  -16.7778
            27  N5x N    20.9169  -16.7311
            28  C8x C    18.5792  -21.1729
            29  N5x N    19.0935  -15.4219
            30  N5x N    20.4494  -15.4219
            31  O6a O    26.9450  -14.5306
BOND        34
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    7  11 1
            11    8  12 1
            12    9  13 2
            13    9  14 1
            14   10  15 1
            15   13  16 1
            16   14  17 2
            17   15  18 1
            18   16  19 2
            19   19  20 1
            20   20  21 1
            21   20  22 2
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25   23  26 1
            26   23  27 2
            27   24  28 1
            28   26  29 1
            29   27  30 1
            30    5   7 1
            31   17  19 1
            32   25  28 2
            33   29  30 2
            34    8  31 2

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