| Entry |
|
|---|
| Name |
Olorofim (JAN/USAN/INN) |
|---|
| Formula |
C28H27FN6O2
|
|---|
| Exact mass |
498.2180
|
|---|
| Mol weight |
498.55
|
|---|
| Structure |
|
|---|
| Efficacy |
Antifungal |
|---|
| Comment |
Treatment for invasive fungal disease
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Antimicrobials [BR:br08307]
Antifungals
Nucleic acid synthesis inhibitor
Other nucleic acid synthesis inhibitor
D12505 Olorofim (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 C8y C 24.7100 -12.7400
2 N5x N 24.7100 -11.3400
3 C8x C 25.9000 -10.6400
4 C8y C 27.1600 -11.3400
5 C8x C 27.1600 -12.7400
6 N5x N 25.9000 -13.4400
7 X F 28.3500 -10.6400
8 N1y N 23.5200 -13.4400
9 C1x C 23.5200 -14.8400
10 C1x C 22.2600 -15.5400
11 N1y N 21.0700 -14.8400
12 C1x C 21.0700 -13.4400
13 C1x C 22.2600 -12.7400
14 C8y C 19.8800 -15.5400
15 C8x C 19.8800 -16.9400
16 C8x C 18.6200 -17.6400
17 C8y C 17.4300 -16.9400
18 C8x C 17.4300 -15.5400
19 C8x C 18.6200 -14.8400
20 N1b N 16.2400 -17.6400
21 C5a C 15.0500 -16.9400
22 C5a C 13.8600 -17.6400
23 O5a O 15.0500 -15.5400
24 C8y C 12.6700 -16.9400
25 O5a O 13.8600 -19.0400
26 C8y C 11.3400 -17.2900
27 C8x C 10.5700 -16.1700
28 C8y C 11.4100 -15.1200
29 N4y N 12.6700 -15.5400
30 C8y C 10.8500 -18.6200
31 C8x C 11.7600 -19.7400
32 C8x C 11.2700 -21.0700
33 C8x C 9.9400 -21.2800
34 C8x C 8.9600 -20.1600
35 C8x C 9.4500 -18.8300
36 C1a C 13.8600 -14.7700
37 C1a C 11.0600 -13.7900
BOND 41
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 1 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 11 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 17 20 1
23 20 21 1
24 21 22 1
25 21 23 2
26 22 24 1
27 22 25 2
28 24 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 24 29 1
33 26 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 30 35 1
40 29 36 1
41 28 37 1
|
|---|
