 | | COMPOUND: C14319 | |
Entry |
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Name |
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Formula |
C22H21Cl3N4O
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Exact mass |
462.0781
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Mol weight |
463.7873
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Structure |

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Remark |
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Pathway |
map07112 | 1,2-Diphenyl substitution family |
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Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A08 ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08A ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
A08AX Other antiobesity drugs
A08AX01 Rimonabant
D05731 Rimonabant (JAN/USAN/INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01705 Anoretic
DG01754 Cannabinoid receptor inverse agonist
D05731 Rimonabant
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cannabinoid
CNR1
D05731 Rimonabant (JAN/USAN/INN)
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Other DBs |
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KCF data |
ATOM 30
1 N4y N 23.9656 -18.2516
2 C8y C 23.9656 -19.6487
3 C8y C 25.2928 -20.0679
4 C8y C 26.1311 -18.9502
5 N5x N 25.2928 -17.8324
6 C8y C 22.8479 -20.4870
7 C8y C 22.8479 -17.4133
8 C8y C 20.4029 -16.0161
9 C8x C 20.4029 -17.4133
10 C8x C 21.5905 -18.1119
11 C8y C 22.8479 -16.0161
12 C8x C 21.5905 -15.3176
13 C8x C 20.4029 -20.4870
14 C8y C 20.4029 -21.8841
15 C8x C 21.5905 -22.5827
16 C8x C 22.8479 -21.8841
17 C8x C 21.5905 -19.7884
18 X Cl 24.0519 -15.3077
19 X Cl 19.1900 -15.3225
20 X Cl 19.1900 -22.5778
21 C1a C 25.7200 -21.3980
22 C5a C 27.5282 -18.9502
23 O5a O 28.2268 -20.1600
24 N1b N 28.2268 -17.7402
25 N1y N 29.6385 -17.7403
26 C1x C 30.3335 -18.9442
27 C1x C 31.7349 -18.9442
28 C1x C 32.4356 -17.7306
29 C1x C 31.7407 -16.5268
30 C1x C 30.3393 -16.5267
BOND 33
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 1 5 1
6 2 6 1
7 1 7 1
8 8 9 2
9 9 10 1
10 10 7 2
11 7 11 1
12 11 12 2
13 8 12 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 6 1
18 6 17 2
19 13 17 1
20 11 18 1
21 8 19 1
22 14 20 1
23 3 21 1
24 4 22 1
25 22 23 2
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 25 30 1
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