KEGG   COMPOUND: C06493
Entry
C06493                      Compound                               
Name
WIN54954;
5-(5-(2,6-Dichloro-4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methylisoxazole
Formula
C18H20Cl2N2O3
Exact mass
382.0851
Mol weight
383.269
Structure
Other DBs
PubChem: 8724
ChEBI: 10029
PDB-CCD: W54[PDBj]
NIKKAJI: J412.369G
LinkDB
KCF data

ATOM        25
            1   C8y C    33.0276  -17.6475
            2   C2y C    34.2472  -16.9418
            3   C8x C    33.0276  -19.0455
            4   C8x C    31.8218  -16.9485
            5   N2x N    35.6424  -16.9490
            6   O2x O    33.8158  -15.6047
            7   C8y C    31.8218  -19.7503
            8   C8y C    30.6103  -17.6475
            9   C1x C    36.0897  -15.6157
            10  C1x C    34.9566  -14.7823
            11  C8y C    30.6161  -19.0513
            12  X   Cl   31.8218  -21.1425
            13  X   Cl   29.3986  -16.9545
            14  O2a O    29.4045  -19.7503
            15  C1b C    28.1871  -19.0513
            16  C1b C    26.9754  -19.7503
            17  C1b C    25.7582  -19.0513
            18  C1b C    24.5465  -19.7503
            19  C1b C    23.3407  -19.0513
            20  C8y C    22.1212  -19.7507
            21  O2x O    20.9839  -18.9347
            22  C8x C    21.7119  -21.0826
            23  N5x N    19.8594  -19.7728
            24  C8y C    20.3067  -21.0981
            25  C1a C    19.4953  -22.2426
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    8  13 1
            13   11  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 2
            22   21  23 1
            23   22  24 1
            24   24  25 1
            25    8  11 2
            26    9  10 1
            27   23  24 2

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