| Entry |
|
|---|
| Name |
Bimiralisib (USAN/INN) |
|---|
| Formula |
C17H20F3N7O2
|
|---|
| Exact mass |
411.1631
|
|---|
| Mol weight |
411.38
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
D11440 Bimiralisib
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
MTOR
D11440 Bimiralisib (USAN/INN)
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3C
D11440 Bimiralisib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C1x C 16.8322 -11.7335
2 C1x C 16.8322 -13.1304
3 N1y N 18.0195 -13.8288
4 C1x C 19.2766 -13.1304
5 C1x C 19.2766 -11.7335
6 O2x O 18.0195 -11.0351
7 C8y C 18.0195 -15.2256
8 N5x N 16.8322 -15.9241
9 C8y C 16.8322 -17.3209
10 N5x N 18.0195 -18.0193
11 C8y C 19.2766 -17.3209
12 N5x N 19.2766 -15.9241
13 N1y N 15.6448 -18.0193
14 C1x C 14.4575 -17.3209
15 C1x C 13.2004 -18.0193
16 O2x O 13.2004 -19.4162
17 C1x C 14.3877 -20.1146
18 C1x C 15.6448 -19.4162
19 C8y C 20.4640 -18.0193
20 C8y C 20.4640 -19.4162
21 C8x C 21.7211 -20.1146
22 C8y C 22.9085 -19.4162
23 N5x N 22.9085 -18.0193
24 C8x C 21.7211 -17.3209
25 C1d C 19.2766 -20.1146
26 X F 18.5782 -18.9273
27 X F 19.9751 -21.3019
28 X F 18.0195 -20.8130
29 N1a N 24.0958 -20.1146
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 9 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 11 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 19 24 1
28 20 25 1
29 25 26 1
30 25 27 1
31 25 28 1
32 22 29 1
|
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