General Information of the Compound
| Compound ID |
CP0534773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[6-[[2-chloro-4-(2-methylpropyl)phenyl]methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32ClNO3
|
||||||||||||||||||
| Molecular Weight |
454.01
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32ClNO3/c1-17(2)10-19-4-5-22(26(28)11-19)16-32-24-8-9-25-18(3)21(7-6-20(25)12-24)13-29-14-23(15-29)27(30)31/h4-5,8-9,11-12,17,23H,6-7,10,13-16H2,1-3H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNGAVTXFLGBJLX-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