COMPOUND: C06489
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Entry
C06489 Compound
Name
Compound VII;
5-(5-(6-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole
Formula
C18H21ClN2O3
Exact mass
348.1241
Mol weight
348.8239
Structure
Mol file
KCF file
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Other DBs
PubChem:
8720
ChEBI:
47727
PDB-CCD:
W33
[
PDBj
]
NIKKAJI:
J294.089B
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KCF data
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ATOM 24
1 C8y C 32.9950 -17.6369
2 C2y C 34.2095 -16.9537
3 C8x C 32.9950 -19.0398
4 C8x C 31.7902 -16.9443
5 N2x N 35.6066 -16.9520
6 O2x O 33.7826 -15.6156
7 C8y C 31.7902 -19.7440
8 C8x C 30.5737 -17.6369
9 C1x C 36.0473 -15.6217
10 C1x C 34.9164 -14.7951
11 C8y C 30.5854 -19.0398
12 X Cl 31.7843 -21.1410
13 O2a O 29.3688 -19.7440
14 C1b C 28.1580 -19.0398
15 C1b C 26.9415 -19.7440
16 C1b C 25.7309 -19.0398
17 C1b C 24.5202 -19.7440
18 C1b C 23.3094 -19.0398
19 C8y C 22.0985 -19.7397
20 C8x C 21.6783 -21.0677
21 O2x O 20.9605 -18.9129
22 C8y C 20.2798 -21.0787
23 N5x N 19.8336 -19.7458
24 C1a C 19.4597 -22.2122
BOND 26
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 11 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 2
20 19 21 1
21 20 22 1
22 21 23 1
23 22 24 1
24 8 11 2
25 9 10 1
26 22 23 2
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