| Entry |
|
|---|
| Name |
Simurosertib (USAN/INN) |
|---|
| Formula |
C17H19N5OS
|
|---|
| Exact mass |
341.131
|
|---|
| Mol weight |
341.4307
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Cell division cycle 7 inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cell cycle
CDC7
D12176 Simurosertib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 N5x N 13.0900 -16.5200
2 C8y C 13.0900 -17.9200
3 N4x N 14.3024 -18.6200
4 C8y C 15.5149 -17.9200
5 C8y C 15.5149 -16.5200
6 C8y C 14.3024 -15.8200
7 C8x C 16.8464 -18.3526
8 C8y C 17.6693 -17.2200
9 S2x S 16.8464 -16.0874
10 C8y C 19.0400 -17.2200
11 C8x C 19.8629 -18.3526
12 N4x N 21.1944 -17.9200
13 N5x N 21.1944 -16.5200
14 C8y C 19.8629 -16.0874
15 C1a C 19.4358 -14.7723
16 O5x O 14.3024 -14.4202
17 C1y C 11.8776 -18.6200
18 N1y N 10.6821 -17.9296
19 C1x C 9.4696 -18.6295
20 C1x C 9.4694 -20.0295
21 C1y C 10.6649 -20.7199
22 C1x C 11.8774 -20.0200
23 C1x C 10.3197 -19.2819
24 C1x C 11.0272 -19.3676
BOND 28
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 10 1
12 10 11 2
13 11 12 1
14 12 13 1
15 13 14 2
16 10 14 1
17 14 15 1
18 6 16 2
19 17 2 1 #Down
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 17 22 1
26 18 23 1
27 21 24 1
28 24 23 1
|
|---|
