KEGG   COMPOUND: C11374Help
Entry
C11374                      Compound                               

Name
GW1843;
1843U89
Formula
C27H24N4O6
Exact mass
500.1696
Mol weight
500.5027
Structure
Mol fileKCF fileDB search
Pathway
map01523  Antifolate resistance
Other DBs
CAS: 139987-54-5
PubChem: 13548
ChEMBL: CHEMBL169896
PDB-CCD: F89[PDBj]
NIKKAJI: J525.129J
KCF data Show

ATOM        37
            1   C8y C    24.5125  -18.7926
            2   C8x C    25.7273  -19.4859
            3   C8x C    25.7330  -20.8872
            4   C8x C    23.3032  -19.5006
            5   C8y C    23.3124  -20.8958
            6   C8y C    24.5303  -21.5838
            7   C8x C    24.4733  -22.9826
            8   C8x C    23.3385  -23.6931
            9   C8y C    22.1076  -21.6065
            10  C8y C    22.1261  -23.0016
            11  N5x N    20.9274  -23.7150
            12  C8y C    19.7099  -23.0334
            13  N4x N    19.7614  -21.6386
            14  C8y C    20.8903  -20.9250
            15  C1b C    24.5072  -17.3908
            16  N1b N    25.7108  -16.6785
            17  C8y C    26.8517  -17.3994
            18  C8x C    28.1435  -16.7119
            19  C8x C    28.1126  -19.5157
            20  C8x C    26.9061  -18.8012
            21  C8y C    29.3343  -18.8280
            22  C8y C    29.3450  -17.4184
            23  C1x C    30.6890  -16.9932
            24  N1y N    31.5086  -18.1398
            25  C5x C    30.6716  -19.2738
            26  O5x O    20.8843  -19.5204
            27  C1a C    18.4983  -23.7303
            28  O5x O    31.0259  -20.6315
            29  C1c C    32.7204  -17.4325
            30  C1b C    33.9365  -18.1281
            31  C6a C    32.7204  -16.0351
            32  C1b C    35.1467  -17.4265
            33  O6a O    33.9248  -15.3335
            34  O6a O    31.5044  -15.3394
            35  C6a C    36.3570  -18.1224
            36  O6a O    37.5672  -17.4208
            37  O6a O    36.3627  -19.5196
BOND        41
            1     4   1 2
            2     1   2 1
            3     2   3 2
            4     3   6 1
            5    21  22 2
            6    22  23 1
            7    23  24 1
            8    24  25 1
            9    25  21 1
            10    9  10 2
            11   14  26 2
            12   10  11 1
            13   12  27 1
            14   11  12 2
            15   12  13 1
            16   13  14 1
            17   14   9 1
            18    5   6 2
            19    1  15 1
            20    6   7 1
            21   15  16 1
            22    7   8 2
            23   16  17 1
            24   25  28 2
            25    8  10 1
            26    9   5 1
            27    5   4 1
            28   17  18 2
            29   18  22 1
            30   21  19 1
            31   19  20 2
            32   20  17 1
            33   24  29 1
            34   29  30 1
            35   29  31 1 #Down
            36   30  32 1
            37   31  33 1
            38   31  34 2
            39   32  35 1
            40   35  36 1
            41   35  37 2

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