General Information of the Compound
| Compound ID |
CP0504326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(5-naphthalen-2-yl-1-benzothiophen-2-yl)methylamino]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21NO2S
|
||||||||||||||||||
| Molecular Weight |
375.493
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCNCc1cc2cc(ccc2s1)-c1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21NO2S/c25-23(26)6-3-11-24-15-21-14-20-13-19(9-10-22(20)27-21)18-8-7-16-4-1-2-5-17(16)12-18/h1-2,4-5,7-10,12-14,24H,3,6,11,15H2,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWCXAQVRBWFDCR-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: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5