| Entry |
|
|---|
| Name |
Filanesib hydrochloride (USAN) |
|---|
| Formula |
C20H22F2N4O2S. HCl
|
|---|
| Exact mass |
456.1198
|
|---|
| Mol weight |
456.94
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Kinesin spindle protein inhibitor |
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C2y C 17.3862 -15.2830
2 S2x S 17.8069 -16.6151
3 C1z C 19.2090 -16.6151
4 N1y N 19.6296 -15.2830
5 N2x N 18.5079 -14.4418
6 C1b C 20.4008 -17.3161
7 C1b C 21.5926 -16.6151
8 C1b C 22.7844 -17.3161
9 N1a N 23.9762 -16.6151
10 C8y C 18.8584 -17.9471
11 C8x C 17.5264 -18.2976
12 C8x C 17.1058 -19.6997
13 C8x C 18.1574 -20.6812
14 C8x C 19.4894 -20.3307
15 C8x C 19.8399 -18.9285
16 C8y C 15.9841 -14.8624
17 C8x C 15.7037 -13.4603
18 C8y C 14.3717 -13.0397
19 C8x C 13.3201 -14.0211
20 C8x C 13.6005 -15.3532
21 C8y C 14.9325 -15.7738
22 X F 14.0211 -11.7077
23 X F 15.2129 -17.1759
24 C5a C 20.8214 -14.5820
25 O5a O 22.0132 -15.2830
26 N1c N 20.8214 -13.1799
27 O2a O 22.0132 -12.4788
28 C1a C 19.6296 -12.4788
29 C1a C 23.2050 -13.1799
30 X Cl 24.2200 -20.4400
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 2
6 3 6 1 #Up
7 6 7 1
8 7 8 1
9 8 9 1
10 3 10 1 #Down
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 1 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 18 22 1
25 21 23 1
26 24 25 2
27 24 4 1
28 24 26 1
29 26 27 1
30 26 28 1
31 27 29 1
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