KEGG   COMPOUND: C06496
Entry
C06496                      Compound                               
Name
Compound IV;
5-(7-(4-(4,5-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole;
Disoxaril
Formula
C20H26N2O3
Exact mass
342.1943
Mol weight
342.432
Structure
Remark
Same as: D03874
Brite
Antimicrobials [BR:br08307]
 Antivirals
  Entry, fusion or uncoating inhibitor
   Enterovirus VP1
    D03874  Disoxaril (USAN/INN)
Other DBs
PubChem: 8727
ChEBI: 3846
PDB-CCD: W71[PDBj]
NIKKAJI: J22.038H
LinkDB
KCF data

ATOM        25
            1   C8y C    36.4305  -14.3930
            2   C2y C    37.6424  -13.6997
            3   C8x C    36.4305  -15.7973
            4   C8x C    35.2243  -13.6997
            5   N2x N    38.9764  -14.1147
            6   O2x O    37.6287  -12.2961
            7   C8x C    35.2243  -16.5025
            8   C8x C    34.0064  -14.3930
            9   C1x C    39.7923  -12.9734
            10  C1x C    38.9563  -11.8478
            11  C8y C    34.0180  -15.7973
            12  O2a O    32.8118  -16.4966
            13  C1b C    31.6000  -15.8032
            14  C1b C    30.3938  -16.5025
            15  C1b C    29.1876  -15.8089
            16  C1b C    27.9698  -16.5141
            17  C1b C    26.7577  -15.8089
            18  C1b C    25.5458  -16.5141
            19  C1b C    24.3338  -15.8089
            20  C8y C    23.1227  -16.5181
            21  C8x C    22.7121  -17.8447
            22  O2x O    21.9781  -15.6979
            23  C8y C    21.3123  -17.8649
            24  N5x N    20.8556  -16.5392
            25  C1a C    20.4976  -19.0107
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   11  12 1
            12   12  13 1
            13   13  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 2
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25    8  11 2
            26    9  10 1
            27   23  24 2

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