General Information of the Compound
| Compound ID |
CP0372316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z,Z)-5-(3-Chloro-4-hydroxy-benzylidene)-3-hexyl-2-isopropylimino-thiazolidin-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C19H25ClN2O2S
|
||||||||||||||||||
| Molecular Weight |
380.941
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCN1\C(S\C(=C/c2ccc(O)c(Cl)c2)C1=O)=N\C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25ClN2O2S/c1-4-5-6-7-10-22-18(24)17(25-19(22)21-13(2)3)12-14-8-9-16(23)15(20)11-14/h8-9,11-13,23H,4-7,10H2,1-3H3/b17-12-,21-19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
QFUITPJYVZBFAX-WJCPARMISA-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