| Entry |
|
|---|
| Name |
Sepantronium bromide (JAN/USAN) |
|---|
| Formula |
C20H19N4O3. Br
|
|---|
| Exact mass |
442.0641
|
|---|
| Mol weight |
443.2939
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Survivin inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Apoptosis
BIRC5
D10164 Sepantronium bromide (JAN/USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C8x C 11.2700 -20.8600
2 C8x C 11.2700 -22.2600
3 C8x C 12.4824 -22.9600
4 C8y C 13.6949 -22.2600
5 C8y C 13.6949 -20.8600
6 C8x C 12.4824 -20.1600
7 C5x C 14.9073 -22.9600
8 C8y C 16.1197 -22.2600
9 C8y C 16.1197 -20.8600
10 C5x C 14.9073 -20.1600
11 N5y N 17.4512 -22.6926 #+
12 C8y C 18.2741 -21.5600
13 N4y N 17.4512 -20.4274
14 O5x O 14.9073 -18.7600
15 O5x O 14.9073 -24.3600
16 C1b C 17.8779 -24.0064
17 C8y C 19.2500 -24.0180
18 N5x N 19.9364 -25.3002
19 C8x C 21.3363 -25.2419
20 C8x C 22.0465 -24.0354
21 N5x N 21.3601 -22.8232
22 C8x C 19.9601 -22.8114
23 C1a C 19.6700 -21.5600
24 C1b C 17.4512 -19.0274
25 C1b C 18.6423 -18.3397
26 O2a O 19.8380 -19.0303
27 C1a C 21.0252 -18.3449
28 X Br 22.7500 -20.4400 #-
BOND 30
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 9 13 1
16 10 14 2
17 7 15 2
18 11 16 1
19 16 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 17 22 1
26 12 23 1
27 13 24 1
28 24 25 1
29 25 26 1
30 26 27 1
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|---|
