Common name
5-ethyl-1H-tetrazole
IUPAC name
5-ethyl-1H-tetrazole
SMILES
[nH]1nnnc1CC
Common name
5-ethyl-1H-tetrazole
IUPAC name
5-ethyl-1H-tetrazole
SMILES
[nH]1nnnc1CC
INCHI
InChI=1S/C3H6N4/c1-2-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7)
FORMULA
C3H6N4
Common name
5-ethyl-1H-tetrazole
IUPAC name
5-ethyl-1H-tetrazole
Molecular weight
98.107
clogP
1.048
clogS
-1.200
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
54.46
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01012 | Cilostazol |
|
Fibrinolytic Agents; Platelet Aggregation Inhibitors; Bronchodilator Agents; Phosphodiesterase 3 Inhibitors; Vasodilator Agents; Neuroprotective Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the reduction of symptoms of intermittent claudication (pain in the legs that occurs with walking and disappears with rest). |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g32_ligand_2_2.mol2 | 3g32 | 1 | -6.10 | CCc1[nH]nnn1 | 7 |
| 4n8r_ligand_2_9.mol2 | 4n8r | 1 | -5.98 | CCc1[nH]nnn1 | 7 |
| 4n5g_ligand_2_9.mol2 | 4n5g | 1 | -5.97 | CCc1[nH]nnn1 | 7 |
| 1jtq_ligand_2_27.mol2 | 1jtq | 1 | -5.35 | CCc1[nH]nnn1 | 7 |
| 2cvd_ligand_2_27.mol2 | 2cvd | 1 | -5.19 | c1([nH]nnn1)CC | 7 |
| 2cvd_ligand_3_55.mol2 | 2cvd | 0.846154 | -5.28 | c1([nH]nnn1)CCC | 8 |
| 4n8r_ligand_1_4.mol2 | 4n8r | 0.772727 | -5.94 | Cc1[nH]nnn1 | 6 |
| 4n5g_ligand_1_4.mol2 | 4n5g | 0.772727 | -5.92 | Cc1[nH]nnn1 | 6 |
| 3g32_ligand_1_2.mol2 | 3g32 | 0.772727 | -5.90 | c1([nH]nnn1)C | 6 |
| 3g34_ligand_1_1.mol2 | 3g34 | 0.772727 | -5.73 | c1([nH]nnn1)C | 6 |
105 ,
11
