| Entry |
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| Name |
Zorubicin hydrochloride (USAN) |
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| Formula |
C34H35N3O10. HCl
|
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| Exact mass |
681.2089
|
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| Mol weight |
682.11
|
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| Structure |
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| Simcomp |
|
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| Class |
Antineoplastic
DG01682 Anthracycline antineoplastic
|
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| Remark |
|
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| Efficacy |
Antineoplastic, Topoisomerase II inhibitor |
|---|
| Target |
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
L01DB Anthracyclines and related substances
L01DB05 Zorubicin
D06386 Zorubicin hydrochloride (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01682 Anthracycline antineoplastic
D06386 Zorubicin hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP2
D06386 Zorubicin hydrochloride (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 48
1 X Cl 26.7400 -25.6900
2 C1y C 18.6900 -24.0800
3 O2x O 19.8800 -23.3800
4 C1y C 21.0700 -24.0800
5 C1y C 21.0700 -25.4800
6 C1y C 19.8800 -26.1800
7 C1x C 18.6900 -25.4800
8 C8x C 9.0300 -21.2800
9 C8x C 9.0300 -19.8800
10 C8x C 10.2200 -19.1800
11 C8y C 11.4100 -19.8800
12 C8y C 11.4100 -21.2800
13 C8y C 10.2200 -21.9800
14 C5x C 12.6700 -19.1800
15 C8y C 13.8600 -19.8800
16 C8y C 13.8600 -21.2800
17 C5x C 12.6700 -21.9800
18 C8y C 15.0500 -19.1800
19 C8y C 16.3100 -19.8800
20 C8y C 16.3100 -21.2800
21 C8y C 15.0500 -21.9800
22 C1x C 17.5000 -19.1800
23 C1z C 18.6900 -19.8800
24 C1x C 18.6900 -21.2800
25 C1y C 17.5000 -21.9800
26 O2a O 10.2200 -23.3800
27 C1a C 9.0300 -24.0800
28 O5x O 12.6700 -23.3800
29 O5x O 12.6700 -17.7800
30 O1a O 15.0500 -17.7800
31 O1a O 15.0500 -23.3800
32 O2a O 17.5000 -23.3800
33 C2c C 19.9500 -19.1800
34 N2b N 21.1400 -19.8800
35 C1a C 19.9500 -17.7800
36 N1b N 22.3300 -19.1800
37 C5a C 23.5200 -19.8800
38 C8y C 24.7100 -19.1800
39 O5a O 23.5200 -21.2800
40 C8x C 24.7100 -17.7800
41 C8x C 25.9000 -17.0800
42 C8x C 27.1600 -17.7800
43 C8x C 27.1600 -19.1800
44 C8x C 25.9000 -19.8800
45 N1a N 19.8800 -27.5800
46 O1a O 22.3300 -26.1800
47 C1a C 22.3300 -23.3800
48 O1a O 19.8966 -20.5900
BOND 52
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 7 1
6 2 7 1
7 8 9 2
8 9 10 1
9 10 11 2
10 11 12 1
11 12 13 2
12 8 13 1
13 11 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 12 17 1
18 15 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 16 21 2
23 19 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 20 25 1
28 13 26 1
29 26 27 1
30 17 28 2
31 14 29 2
32 18 30 1
33 21 31 1
34 25 32 1 #Down
35 23 33 1
36 33 34 2
37 33 35 1
38 34 36 1
39 36 37 1
40 37 38 1
41 37 39 2
42 38 40 2
43 40 41 1
44 41 42 2
45 42 43 1
46 43 44 2
47 38 44 1
48 2 32 1 #Down
49 6 45 1 #Up
50 5 46 1 #Up
51 4 47 1 #Up
52 23 48 1 #Down
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