General Information of the Compound
| Compound ID |
CP0374219
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z,Z)-5-(4-Hydroxy-3-methoxy-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C20H20N2O3S
|
||||||||||||||||||
| Molecular Weight |
368.458
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C2/S\C(=N/C(C)C)N(C2=O)c2ccccc2)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N2O3S/c1-13(2)21-20-22(15-7-5-4-6-8-15)19(24)18(26-20)12-14-9-10-16(23)17(11-14)25-3/h4-13,23H,1-3H3/b18-12-,21-20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZHUGVMQAFHSKB-RTPYTOBHSA-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