| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C13H7F6NO3S
|
|---|
| Exact mass |
371.0051
|
|---|
| Mol weight |
371.255
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Tubulin polymerization inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Cytoskeleton
TUBB
D06560 Batabulin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 C8y C 33.4383 -19.1969
2 O2a O 34.6195 -19.8917
3 C8x C 33.4383 -17.7378
4 C8y C 32.1876 -19.8917
5 C1a C 35.8007 -19.1969
6 C8x C 32.1876 -17.0429
7 C8x C 31.0064 -19.1969
8 C8y C 31.0064 -17.7378
9 N1b N 29.8253 -17.0429
10 S4a S 28.5746 -17.7378
11 C8y C 27.3934 -17.0429
12 O3c O 29.8253 -18.5020
13 O3c O 27.5324 -18.5020
14 X F 32.1706 -21.3047
15 C8y C 27.4047 -15.6479
16 C8y C 26.2008 -14.9398
17 C8y C 24.9856 -15.6283
18 C8y C 24.9742 -17.0232
19 C8y C 26.1781 -17.7314
20 X F 26.1669 -19.1397
21 X F 23.7398 -17.7223
22 X F 23.7725 -14.9144
23 X F 26.2123 -13.5528
24 X F 28.6206 -14.9591
BOND 25
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 6 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 10 12 2
12 10 13 2
13 7 8 2
14 4 14 1
15 11 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 11 19 1
21 19 20 1
22 18 21 1
23 17 22 1
24 16 23 1
25 15 24 1
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|---|
