General Information of the Compound
| Compound ID |
CP0873458
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-((6-(3-(4-fluorophenyl)-2-methylpropoxy)-1-methyl-3,4-dihydronaphthalen-2-yl)methyl)azetidine-3-carboxylic acid hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31ClFNO3
|
||||||||||||||||||
| Molecular Weight |
459.989
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](C)Cc3ccc(F)cc3)ccc21.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30FNO3.ClH/c1-17(11-19-3-7-23(27)8-4-19)16-31-24-9-10-25-18(2)21(6-5-20(25)12-24)13-28-14-22(15-28)26(29)30;/h3-4,7-10,12,17,22H,5-6,11,13-16H2,1-2H3,(H,29,30);1H/t17-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGYXMUWTWHPDGB-UNTBIKODSA-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