COMPOUND: C06496
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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
Mol file
KCF file
DB search
Remark
Same as:
D03874
Brite
Antimicrobials [BR:
br08307
]
Antivirals
Entry, fusion or uncoating inhibitor
Enterovirus VP1
D03874 Disoxaril (USAN/INN)
BRITE hierarchy
Other DBs
PubChem:
8727
ChEBI:
3846
PDB-CCD:
W71
[
PDBj
]
NIKKAJI:
J22.038H
LinkDB
All DBs
KCF data
Show
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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