Responsive image

Common name

1-cyclohexyl-5-propyl-tetrazole

IUPAC name

1-cyclohexyl-5-propyl-tetrazole

SMILES

n1(nnnc1CCC)C2CCCCC2

Common name

1-cyclohexyl-5-propyl-tetrazole

IUPAC name

1-cyclohexyl-5-propyl-tetrazole

SMILES

n1(nnnc1CCC)C2CCCCC2

INCHI

InChI=1S/C10H18N4/c1-2-6-10-11-12-13-14(10)9-7-4-3-5-8-9/h9H,2-8H2,1H3

FORMULA

C10H18N4

Responsive image

Common name

1-cyclohexyl-5-propyl-tetrazole

IUPAC name

1-cyclohexyl-5-propyl-tetrazole





Molecular weight

195.285

clogP

0.546

clogS

-2.306

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

45.45

Number of Rings

2

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01012 Cilostazol Responsive image 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
2j7b_ligand.mol2 2j7b 0.495238 -7.58 c12[C@@H]([C@H]([C@@H]([C@@H](CO)n1nnn2)O)O)O 15
1noj_ligand.mol2 1noj 0.495238 -7.17 c12[C@@H]([C@H]([C@@H]([C@@H](CO)n1nnn2)O)O)O 15
1nok_ligand.mol2 1nok 0.495238 -7.16 c12[C@@H]([C@H]([C@@H]([C@@H](CO)n1nnn2)O)O)O 15
1noi_ligand.mol2 1noi 0.495238 -7.10 c12[C@@H]([C@H]([C@@H]([C@@H](CO)n1nnn2)O)O)O 15
4l7c_ligand_1_0.mol2 4l7c 0.483333 -6.24 C1CCCC(C1)c1[nH]nnn1 11
2cvd_ligand_3_55.mol2 2cvd 0.464286 -5.28 c1([nH]nnn1)CCC 8
1q83_ligand_5_771.mol2 1q83 0.448718 -6.34 CCCc1[n+](CC)[nH]nc1 10
2xup_ligand_5_771.mol2 2xup 0.448718 -6.28 C([n+]1c(cn[nH]1)CCC)C 10
2xui_ligand_5_771.mol2 2xui 0.448718 -6.24 c1([n+]([nH]nc1)CC)CCC 10
161 , 17