| Entry |
|
|---|
| Name |
Quabodepistat (USAN/INN) |
|---|
| Formula |
C21H20ClF3N2O4
|
|---|
| Exact mass |
456.1064
|
|---|
| Mol weight |
456.84
|
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| Structure |
|
|---|
| Efficacy |
Antibacterial (tuberculostatic), Arabinan synthesis inhibitor |
|---|
| Comment |
Treatment of tuberculosis
|
|---|
| Target |
|
|---|
| Brite |
Antimicrobials [BR:br08307]
Antibacterials
Cell wall biosynthesis inhibitor, other
Other peptidoglycan biosynthesis inhibitor
D13037 Quabodepistat (USAN/INN)
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 31
1 C8x C 10.3600 -16.8700
2 C8y C 10.3600 -18.2700
3 C8x C 11.5724 -18.9700
4 C8y C 12.7849 -18.2700
5 C8y C 12.7849 -16.8700
6 C8y C 11.5724 -16.1700
7 N1y N 14.0160 -16.1590
8 C1x C 15.2212 -16.8547
9 C1x C 16.4335 -16.1546
10 C1z C 16.4335 -14.7546
11 C1y C 15.2283 -14.0589
12 C1x C 14.0159 -14.7590
13 C1b C 17.6514 -14.0512
14 O2a O 18.8634 -14.7507
15 C8y C 20.0423 -14.0698
16 C8y C 21.2381 -14.7602
17 C8y C 22.4505 -14.0601
18 C8y C 22.4505 -12.6601
19 C8x C 21.2547 -11.9698
20 C8x C 20.0423 -12.6698
21 C1x C 21.2381 -16.1602
22 C1x C 22.4505 -16.8601
23 C5x C 23.6630 -16.1601
24 N1x N 23.6629 -14.7601
25 X F 23.6731 -11.9541
26 O5x O 24.8774 -16.8613
27 X F 14.0160 -18.9810
28 X F 11.5724 -14.7702
29 X Cl 9.1476 -18.9700
30 O1a O 15.2285 -12.6704
31 O1a O 17.4234 -15.7445
BOND 34
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 7 12 1
14 10 13 1 #Down
15 13 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 16 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 17 24 1
28 18 25 1
29 23 26 2
30 4 27 1
31 6 28 1
32 2 29 1
33 11 30 1 #Up
34 10 31 1 #Up
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