General Information of the Compound
| Compound ID |
CP0573006
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[4-[4-(4-chlorophenyl)triazol-1-yl]phenyl]methyl]azetidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClN4O2
|
||||||||||||||||||
| Molecular Weight |
368.824
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-n2cc(nn2)-c2ccc(Cl)cc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClN4O2/c20-16-5-3-14(4-6-16)18-12-24(22-21-18)17-7-1-13(2-8-17)9-23-10-15(11-23)19(25)26/h1-8,12,15H,9-11H2,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBJALHDMRBMVBO-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 | |||||||||||||||||||
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