DRUG: Elesclomol
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Entry
D08909 Drug
Name
Elesclomol (USAN)
Formula
C19H20N4O2S2
Exact mass
400.1028
Mol weight
400.52
Structure
Mol file
KCF file
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Efficacy
Antineoplastic
Comment
Administered in combination with taxanes for the treatment of solid-tumor cancer, non-small cell lung cancer, melanoma, sarcoma
Other DBs
CAS:
488832-69-5
PubChem:
96025592
LigandBox:
D08909
LinkDB
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KCF data
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ATOM 27
1 C8y C 13.7900 -15.6800
2 C2c C 15.0024 -16.3800
3 N1c N 16.2149 -15.6800
4 N1b N 17.4273 -16.3800
5 C5a C 18.6397 -15.6800
6 C1b C 19.8522 -16.3800
7 C5a C 21.0646 -15.6800
8 N1b N 22.2770 -16.3800
9 N1c N 23.4895 -15.6800
10 C2c C 24.7019 -16.3800
11 C8y C 25.9144 -15.6800
12 S0 S 15.0024 -17.7798
13 O5a O 18.6397 -14.2801
14 O5a O 21.0646 -14.2800
15 S0 S 24.7019 -17.7800
16 C8x C 13.7900 -14.2800
17 C8x C 12.5776 -13.5800
18 C8x C 11.3651 -14.2800
19 C8x C 11.3651 -15.6800
20 C8x C 12.5776 -16.3800
21 C8x C 27.1160 -16.3738
22 C8x C 28.3284 -15.6739
23 C8x C 28.3285 -14.2739
24 C8x C 27.1269 -13.5801
25 C8x C 25.9144 -14.2800
26 C1a C 16.2149 -14.2802
27 C1a C 23.4895 -14.2803
BOND 28
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 2 12 2
12 5 13 2
13 7 14 2
14 10 15 2
15 1 16 2
16 16 17 1
17 17 18 2
18 18 19 1
19 19 20 2
20 1 20 1
21 11 21 2
22 21 22 1
23 22 23 2
24 23 24 1
25 24 25 2
26 11 25 1
27 3 26 1
28 9 27 1
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