Entry |
|
Name |
Isomazole hydrochloride (USAN) |
Formula |
C14H13N3O2S. HCl
|
Exact mass |
323.0495
|
Mol weight |
323.7979
|
Structure |
|
Simcomp |
|
Efficacy |
Cardiotonic |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE3
D04628 Isomazole hydrochloride (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 21
1 C8y C 23.1193 -16.4372
2 C8y C 23.1136 -15.0477
3 N4x N 21.7998 -16.8732
4 C8x C 24.3286 -17.1347
5 N5x N 21.7939 -14.6233
6 C8x C 24.3286 -14.3500
7 C8y C 20.9742 -15.7453
8 C8x C 25.5261 -16.4372
9 N5x N 25.5261 -15.0477
10 C8y C 19.6000 -15.7460
11 C8x C 18.9011 -14.5369
12 C8x C 17.5011 -14.5377
13 C8y C 16.8017 -15.7505
14 C8x C 17.5006 -16.9596
15 C8y C 18.9006 -16.9588
16 O2a O 19.5930 -18.1564
17 C1a C 18.9068 -19.3463
18 S4a S 15.4000 -15.7512
19 O3c O 14.6988 -14.5382
20 C1a C 14.7012 -16.9631
21 X Cl 28.4200 -15.7500
BOND 22
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 6 9 1
9 5 7 2
10 8 9 2
11 7 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 15 16 1
19 16 17 1
20 13 18 1
21 18 19 2
22 18 20 1
|