KEGG   COMPOUND: C15553
Entry
C15553                      Compound                               
Name
PD 123319
Formula
C31H32N4O3
Exact mass
508.2474
Mol weight
508.6108
Structure
Pathway
map07229  Angiotensin receptor and endothelin receptor antagonists
Other DBs
CAS: 130663-39-7
PubChem: 17396545
ChEBI: 61014
NIKKAJI: J449.507A
LinkDB
KCF data

ATOM        38
            1   C8y C    34.7171  -16.0957
            2   N4y N    34.2732  -14.7700
            3   C8y C    36.1127  -16.1014
            4   C1x C    34.0164  -17.3044
            5   C8x C    35.4119  -13.9349
            6   C1b C    33.0469  -14.0809
            7   N5x N    36.5507  -14.7700
            8   C1x C    36.8077  -17.3103
            9   C1y C    34.7111  -18.5833
            10  C8y C    31.8438  -14.8050
            11  N1y N    36.1068  -18.5192
            12  C8x C    30.6116  -14.1217
            13  C8x C    31.8730  -16.1833
            14  C8x C    29.4086  -14.8459
            15  C8y C    30.6584  -16.9308
            16  C8y C    29.3737  -16.2475
            17  N1c N    28.1520  -16.9825
            18  C1a C    30.6860  -18.3674
            19  C5a C    36.7930  -19.7165
            20  C1c C    38.1860  -19.7208
            21  O5a O    36.0938  -20.9186
            22  C8y C    38.9002  -18.4929
            23  C8y C    38.8738  -20.9204
            24  C8x C    40.2885  -18.4974
            25  C8x C    40.9933  -17.2859
            26  C8x C    40.2964  -16.0697
            27  C8x C    38.9081  -16.0651
            28  C8x C    38.2034  -17.2767
            29  C8x C    38.1856  -22.1038
            30  C8x C    38.8827  -23.3199
            31  C8x C    40.2842  -23.3242
            32  C8x C    40.9723  -22.1407
            33  C8x C    40.2753  -20.9247
            34  C6a C    34.0021  -19.7332
            35  O6a O    32.5800  -19.7295
            36  O6a O    34.6796  -20.9143
            37  C1a C    26.9213  -16.3011
            38  C1a C    28.1078  -18.4008
BOND        42
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    8  11 1
            11   10  12 1
            12   10  13 2
            13   12  14 2
            14   13  15 1
            15   14  16 1
            16    5   7 2
            17    9  11 1
            18   15  16 2
            19   16  17 1
            20   15  18 1
            21   11  19 1
            22   19  20 1
            23   19  21 2
            24   20  22 1
            25   20  23 1
            26   22  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   22  28 1
            32   23  29 2
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   23  33 1
            38    9  34 1 #Down
            39   34  35 1
            40   34  36 2
            41   17  37 1
            42   17  38 1

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