General Information of the Compound
| Compound ID |
CP0455676
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[4-(3,4-dichlorophenyl)phenyl]methyl]azetidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15Cl2NO2
|
||||||||||||||||||
| Molecular Weight |
336.218
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2ccc(Cl)c(Cl)c2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15Cl2NO2/c18-15-6-5-13(7-16(15)19)12-3-1-11(2-4-12)8-20-9-14(10-20)17(21)22/h1-7,14H,8-10H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGZCTGTUNZJPEX-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: PT01780, Sphingosine 1-phosphate receptor 5