| Entry |
|
|---|
| Name |
Irosustat (USAN/INN) |
|---|
| Formula |
C14H15NO5S
|
|---|
| Exact mass |
309.0671
|
|---|
| Mol weight |
309.34
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Sulfatases
STS
D09915 Irosustat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C8y C 19.9500 -25.3400
2 C1x C 18.8300 -24.4300
3 C1x C 17.5000 -24.7800
4 C1x C 16.8700 -26.0400
5 C8y C 19.9500 -26.7400
6 C1x C 17.5000 -27.3000
7 C1x C 18.8300 -27.5800
8 C8y C 21.1624 -27.4400
9 O7x O 22.3749 -26.7400
10 C8y C 22.3749 -25.3400
11 C8y C 21.1624 -24.6400
12 C8x C 23.5873 -24.6400
13 C8y C 23.5873 -23.2400
14 C8x C 22.3749 -22.5400
15 C8x C 21.1624 -23.2400
16 O2a O 24.8018 -22.5388
17 S4a S 25.9983 -23.2298
18 N1a N 27.2107 -23.9298
19 O3c O 26.6983 -22.0174
20 O3c O 25.2983 -24.4422
21 O6a O 21.1624 -28.8398
BOND 23
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 1 11 1
13 10 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 11 15 2
18 13 16 1
19 16 17 1
20 17 18 1
21 17 19 2
22 17 20 2
23 8 21 2
|
|---|
