| Entry |
|
|---|
| Name |
Azalanstat dihydrochloride (USAN) |
|---|
| Formula |
C22H24ClN3O2S. 2HCl
|
|---|
| Exact mass |
501.0811
|
|---|
| Mol weight |
502.88
|
|---|
| Structure |
|
|---|
| Efficacy |
Antiobesity |
|---|
| Comment |
Hypolipidemic
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Cytochrome P450
CYP51A1
D03025 Azalanstat dihydrochloride (USAN)
|
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| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C1b C 22.7933 -20.8316
2 C8y C 21.5779 -21.5362
3 C1b C 24.0087 -21.5362
4 C8x C 21.5779 -22.9394
5 C8x C 20.3625 -20.8316
6 C1z C 25.2240 -20.8374
7 C8x C 20.3625 -23.6439
8 C8x C 19.1471 -21.5362
9 C1b C 26.4394 -21.5362
10 C8y C 19.1471 -22.9394
11 X Cl 17.9260 -23.6439
12 N4y N 27.6586 -20.8392
13 O2x O 26.3484 -20.0000
14 C1y C 25.8966 -18.6701
15 C1x C 24.4923 -18.6890
16 O2x O 24.0763 -20.0305
17 C1b C 26.7036 -17.5275
18 S2a S 28.1036 -17.5275
19 C8y C 28.8071 -16.3098
20 C8x C 30.2400 -16.3102
21 C8x C 30.9404 -15.0980
22 C8y C 30.2407 -13.8853
23 C8x C 28.8079 -13.8849
24 C8x C 28.1075 -15.0971
25 N1a N 30.9520 -12.6546
26 C8x C 28.9901 -21.2756
27 C8x C 29.8158 -20.1450
28 N5x N 28.9958 -19.0104
29 C8x C 27.6632 -19.4397
30 X Cl 33.3020 -19.9888
31 X Cl 33.3020 -19.9888
BOND 32
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 4 7 2
6 5 8 1
7 7 10 1
8 10 11 1
9 8 10 2
10 6 3 1 #Down
11 6 9 1 #Up
12 9 12 1
13 6 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 6 16 1
18 14 17 1 #Up
19 17 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 22 25 1
28 12 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 12 29 1
BRACKET 1 31.5700 -20.7900 31.5700 -19.1100
1 34.1600 -19.1100 34.1600 -20.7900
1 2
ORIGINAL 1 30
REPEAT 1 31
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