IUPAC name
6-[4-(1-cyclohexyl-1H-1,2,3,4-tetrazol-5-yl)butoxy]-1,2,3,4-tetrahydroquinolin-2-one
SMILES
O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2
Compound class
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;
Therapeutic area
For the reduction of symptoms of intermittent claudication (pain in the legs that occurs with walking and disappears with rest).
Common name
Cilostazol
IUPAC name
6-[4-(1-cyclohexyl-1H-1,2,3,4-tetrazol-5-yl)butoxy]-1,2,3,4-tetrahydroquinolin-2-one
SMILES
O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2
INCHI
InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)
FORMULA
C20H27N5O2
Common name
Cilostazol
IUPAC name
6-[4-(1-cyclohexyl-1H-1,2,3,4-tetrazol-5-yl)butoxy]-1,2,3,4-tetrahydroquinolin-2-one
Molecular weight
369.461
clogP
3.101
clogS
-5.241
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
81.93
Number of Rings
4
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00188 | tetrazole |
|
[nH]1nnnc1 | 0.0055 |
| FDBF01179 | 3,4-dihydro-1H-quinolin-2-one |
|
O=C1Nc2c(cccc2)CC1 | 0.0010 |
| FDBF02633 | 5-methyl-1H-tetrazole |
|
[nH]1nnnc1C | 0.0003 |
| FDBF02634 | 6-methoxy-3,4-dihydro-1H-quinolin-2-one |
|
O(c1cc2c(cc1)NC(=O)CC2)C | 0.0003 |
| FDBF02636 | 5-ethyl-1H-tetrazole |
|
[nH]1nnnc1CC | 0.0003 |
| FDBF02637 | 1-cyclohexyl-5-ethyl-tetrazole |
|
n1(nnnc1CC)C2CCCCC2 | 0.0003 |
| FDBF02639 | 6-ethoxy-3,4-dihydro-1H-quinolin-2-one |
|
O(c1cc2c(cc1)NC(=O)CC2)CC | 0.0003 |
| FDBF02640 | 1-cyclohexyl-5-propyl-tetrazole |
|
n1(nnnc1CCC)C2CCCCC2 | 0.0003 |
| FDBF02641 | 5-butyl-1H-tetrazole |
|
[nH]1nnnc1CCCC | 0.0003 |
