General Information of the Compound
| Compound ID |
CP0882548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(6-((2-chlorophenyl)ethynyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)propanoic acid hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23Cl2NO3
|
||||||||||||||||||
| Molecular Weight |
432.347
|
||||||||||||||||||
| Canonical SMILES |
Cl.O=C(O)CCN1CCC2(CC1)COc1cc(C#Cc3ccccc3Cl)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22ClNO3.ClH/c24-20-4-2-1-3-18(20)7-5-17-6-8-19-21(15-17)28-16-23(19)10-13-25(14-11-23)12-9-22(26)27;/h1-4,6,8,15H,9-14,16H2,(H,26,27);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
URCZPWFTYMEMKY-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5