| Entry |
|
|---|
| Name |
Balipodect (USAN/INN) |
|---|
| Formula |
C23H17FN6O2
|
|---|
| Exact mass |
428.1397
|
|---|
| Mol weight |
428.42
|
|---|
| Structure |
|
|---|
| Efficacy |
Antipsychotic, Phosphodiesterase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE10A
D11245 Balipodect (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8x C 19.2500 -20.0200
2 C8x C 19.2500 -18.6200
3 C8x C 20.4400 -17.9200
4 C8y C 21.7000 -18.6200
5 C8x C 21.7000 -20.0200
6 C8x C 20.4400 -20.7200
7 N4y N 22.8900 -17.9200
8 C8y C 22.8900 -16.5200
9 C8x C 24.2200 -16.1000
10 C8x C 25.0600 -17.2200
11 N5x N 24.2200 -18.3400
12 N4y N 19.2500 -15.8200
13 C8x C 19.2500 -14.4200
14 C8y C 20.4400 -13.7200
15 C8y C 21.7000 -14.4200
16 C8y C 21.7000 -15.8200
17 N5x N 20.4400 -16.5200
18 O5x O 22.9066 -13.7100
19 O2a O 20.4228 -12.3201
20 C1a C 19.2149 -11.6424
21 C8y C 18.0347 -16.5151
22 C8y C 16.8463 -15.8223
23 C8x C 15.6309 -16.5172
24 C8y C 15.6251 -17.9172
25 C8x C 16.8136 -18.6100
26 C8x C 18.0289 -17.9151
27 X F 16.8521 -14.4201
28 N4y N 14.3972 -18.6194
29 N5x N 13.1399 -18.0532
30 C8x C 12.2129 -19.0740
31 C8x C 12.8973 -20.2711
32 C8x C 14.2473 -19.9901
BOND 36
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 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 7 11 1
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 1
17 16 17 2
18 12 17 1
19 16 8 1
20 15 18 2
21 14 19 1
22 19 20 1
23 12 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
30 22 27 1
31 24 28 1
32 28 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 28 32 1
|
|---|
