General Information of the Compound
| Compound ID |
CP0479297
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-hydroxyethyl 4-[(Z)-[3-(2-methylphenyl)-4-oxo-2-propylimino-1,3-thiazolidin-5-ylidene]methyl]benzoate
Show/Hide
|
||||||||||||||||||
| Formula |
C23H24N2O4S
|
||||||||||||||||||
| Molecular Weight |
424.522
|
||||||||||||||||||
| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(cc2)C(=O)OCCO)C(=O)N1c1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N2O4S/c1-3-12-24-23-25(19-7-5-4-6-16(19)2)21(27)20(30-23)15-17-8-10-18(11-9-17)22(28)29-14-13-26/h4-11,15,26H,3,12-14H2,1-2H3/b20-15-,24-23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNQDSLDQTBEEOC-MONBMGCGSA-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 | |||||||||||||||||||
| 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