Common name
5-methyl-1H-tetrazole
IUPAC name
5-methyl-1H-tetrazole
SMILES
[nH]1nnnc1C
Common name
5-methyl-1H-tetrazole
IUPAC name
5-methyl-1H-tetrazole
SMILES
[nH]1nnnc1C
INCHI
InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
FORMULA
C2H4N4
Common name
5-methyl-1H-tetrazole
IUPAC name
5-methyl-1H-tetrazole
Molecular weight
84.080
clogP
1.170
clogS
-0.767
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
54.46
Number of Rings
1
Rotatable Bond
0
| 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 |
|---|---|---|---|---|---|
| 4n8r_ligand_1_4.mol2 | 4n8r | 1 | -5.94 | Cc1[nH]nnn1 | 6 |
| 4n5g_ligand_1_4.mol2 | 4n5g | 1 | -5.92 | Cc1[nH]nnn1 | 6 |
| 3g32_ligand_1_2.mol2 | 3g32 | 1 | -5.90 | c1([nH]nnn1)C | 6 |
| 3g34_ligand_1_1.mol2 | 3g34 | 1 | -5.73 | c1([nH]nnn1)C | 6 |
| 4bxk_ligand_1_0.mol2 | 4bxk | 1 | -5.62 | Cc1[nH]nnn1 | 6 |
| 2i1r_ligand_1_3.mol2 | 2i1r | 1 | -5.53 | Cc1[nH]nnn1 | 6 |
| 1jtq_ligand_1_7.mol2 | 1jtq | 1 | -5.27 | Cc1[nH]nnn1 | 6 |
| 4zyc_ligand_1_3.mol2 | 4zyc | 1 | -5.14 | Cc1[nH]nnn1 | 6 |
| 2cvd_ligand_1_7.mol2 | 2cvd | 1 | -5.09 | c1([nH]nnn1)C | 6 |
| 3g32_ligand_2_2.mol2 | 3g32 | 0.772727 | -6.10 | CCc1[nH]nnn1 | 7 |
104 ,
11
