General Information of the Compound
| Compound ID |
CP0372148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z,Z)-2-Isopropylimino-5-(2-methyl-benzylidene)-3-phenyl-thiazolidin-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C20H20N2OS
|
||||||||||||||||||
| Molecular Weight |
336.46
|
||||||||||||||||||
| Canonical SMILES |
CC(C)\N=C1/S\C(=C/c2ccccc2C)C(=O)N1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N2OS/c1-14(2)21-20-22(17-11-5-4-6-12-17)19(23)18(24-20)13-16-10-8-7-9-15(16)3/h4-14H,1-3H3/b18-13-,21-20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXIMOPSLLYZEQA-PQDITWEDSA-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