COMPOUND: C06493
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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
Mol file
KCF file
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Other DBs
PubChem:
8724
ChEBI:
10029
PDB-CCD:
W54
[
PDBj
]
NIKKAJI:
J412.369G
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KCF data
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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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