| Entry |
|
|---|
| Name |
Crisnatol mesylate (USAN) |
|---|
| Formula |
C23H23NO2. CH4SO3
|
|---|
| Exact mass |
441.161
|
|---|
| Mol weight |
441.5399
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Target |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01529 Topoisomerase inhibitor
DG01527 Topoisomerase II inhibitor
D03602 Crisnatol mesylate
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D03602 Crisnatol mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8x C 3.1500 -6.5100
2 C8x C 3.1500 -7.9100
3 C8x C 4.3624 -8.6100
4 C8y C 5.5749 -7.9100
5 C8y C 5.5749 -6.5100
6 C8x C 4.3624 -5.8100
7 C8y C 6.7873 -8.6100
8 C8x C 7.9997 -7.9100
9 C8y C 7.9997 -6.5100
10 C8y C 6.7873 -5.8100
11 C8y C 9.2122 -5.8100
12 C8y C 9.2122 -4.4100
13 C8x C 7.9997 -3.7100
14 C8x C 6.7873 -4.4100
15 C8x C 10.4246 -6.5100
16 C8x C 11.6370 -5.8100
17 C8x C 11.6370 -4.4100
18 C8x C 10.4246 -3.7100
19 C1b C 6.7873 -10.0100
20 N1b N 8.0018 -10.7112
21 C1d C 9.1983 -10.0202
22 C1b C 10.3936 -9.3297
23 C1b C 9.8866 -11.2127
24 C1a C 8.4869 -8.7879
25 O1a O 11.5724 -10.0100
26 O1a O 11.2699 -11.2126
27 O1d O 17.7191 -6.7563
28 S4a S 17.7191 -8.1533
29 C1a C 16.3222 -8.1533
30 O1d O 19.1161 -8.1533
31 O1d O 17.7191 -9.5502
BOND 33
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 2
9 8 9 1
10 9 10 2
11 5 10 1
12 9 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 10 14 1
17 11 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 12 18 1
22 7 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 21 23 1
27 21 24 1
28 22 25 1
29 23 26 1
30 27 28 2
31 28 29 1
32 28 30 1
33 28 31 2
|
|---|
