| Entry |
|
|---|
| Name |
Topixantrone (USAN/INN) |
|---|
| Formula |
C21H26N6O2
|
|---|
| Exact mass |
394.2117
|
|---|
| Mol weight |
394.47
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01727 Anthraquinone antineoplastic
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Comment |
anthraquinone derivative
|
|---|
| Target |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01727 Anthraquinone antineoplastic
D06190 Topixantrone
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D06190 Topixantrone (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 N5x N 15.0500 -14.3500
2 C8x C 15.0500 -15.7500
3 C8x C 16.2624 -16.4500
4 C8y C 17.4749 -15.7500
5 C8y C 17.4749 -14.3500
6 C8x C 16.2624 -13.6500
7 C5x C 18.6873 -16.4500
8 C8y C 19.8997 -15.7500
9 C8y C 19.8997 -14.3500
10 C8y C 18.6873 -13.6500
11 C8y C 21.1122 -16.4500
12 C8x C 22.3246 -15.7500
13 C8x C 22.3246 -14.3500
14 C8y C 21.1122 -13.6500
15 N4y N 21.1122 -12.2500
16 N5x N 18.6873 -12.2500
17 O5x O 18.6873 -17.8500
18 N1b N 21.1122 -17.8497
19 C1b C 22.3454 -18.5620
20 C1b C 23.5515 -17.8659
21 N1c N 24.7333 -18.5484
22 C1a C 25.9276 -17.8590
23 C1a C 24.7333 -19.9498
24 C1b C 23.5370 -12.2500
25 C1b C 22.3246 -11.5500
26 N1b N 24.7366 -11.5573
27 C1b C 25.9259 -12.2440
28 C1b C 27.1162 -11.5566
29 O1a O 28.3061 -12.2436
BOND 32
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 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 14 15 1
18 15 16 1
19 16 10 2
20 7 17 2
21 11 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 21 23 1
27 24 25 1
28 15 25 1
29 24 26 1
30 26 27 1
31 27 28 1
32 28 29 1
|
|---|
