| Entry |
|
|---|
| Name |
Cevipabulin succinate (USAN) |
|---|
| Formula |
C18H18ClF5N6O. C4H6O4. 2H2O
|
|---|
| Exact mass |
618.1628
|
|---|
| Mol weight |
618.94
|
|---|
| 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
D08889 Cevipabulin succinate (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 41
1 C8y C 22.6800 -17.2900
2 C8y C 22.6800 -18.6900
3 N5x N 23.8700 -19.3900
4 C8y C 25.1300 -18.6900
5 N4y N 25.1300 -17.2900
6 C8y C 23.8700 -16.5900
7 N5x N 26.4600 -19.1100
8 C8x C 27.2300 -17.9900
9 N5x N 26.4600 -16.8700
10 X Cl 21.4900 -19.3900
11 N1b N 23.8700 -14.8400
12 C8y C 21.4900 -16.5900
13 C1c C 25.0600 -14.1400
14 C1d C 26.2500 -14.8400
15 X F 27.5100 -15.5400
16 X F 25.5500 -16.0300
17 X F 26.9500 -13.6500
18 C1a C 25.0600 -12.7400
19 C8y C 21.4900 -15.1900
20 C8x C 20.2300 -14.4900
21 C8y C 19.0400 -15.1900
22 C8x C 19.0400 -16.5900
23 C8y C 20.2300 -17.2900
24 X F 22.6800 -14.4900
25 X F 20.2300 -18.6900
26 O2a O 17.8500 -14.4900
27 C1b C 16.6600 -15.1900
28 C1b C 15.4700 -14.4900
29 C1b C 14.2800 -15.1900
30 N1b N 13.0900 -14.4900
31 C1a C 11.9000 -15.1900
32 O6a O 30.3100 -14.9800
33 C6a C 31.5224 -14.2800
34 C1b C 32.7349 -14.9800
35 C1b C 33.9473 -14.2800
36 C6a C 35.1597 -14.9800
37 O6a O 36.3722 -14.2800
38 O6a O 31.5224 -12.8802
39 O6a O 35.1597 -16.3799
40 O0 O 33.1100 -18.3400
41 O0 O 33.1100 -18.3400
BOND 40
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 5 9 1
11 2 10 1
12 6 11 1
13 1 12 1
14 11 13 1
15 13 14 1
16 14 15 1
17 14 16 1
18 14 17 1
19 13 18 1 #Up
20 12 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 12 23 1
26 19 24 1
27 23 25 1
28 21 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 33 38 2
40 36 39 2
BRACKET 1 30.9400 -19.1100 30.9400 -17.1500
1 33.7400 -17.1500 33.7400 -19.1100
1 2
ORIGINAL 1 40
REPEAT 1 41
|
|---|