General Information of the Compound
| Compound ID |
CP0404272
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4R)-2-(2-chlorophenyl)-3-[4-(5-methylthiophen-2-yl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18ClNO3S2
|
||||||||||||||||||
| Molecular Weight |
443.977
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(s1)-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccc1Cl)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18ClNO3S2/c1-13-6-11-19(29-13)14-7-9-15(10-8-14)20(25)24-18(22(26)27)12-28-21(24)16-4-2-3-5-17(16)23/h2-11,18,21H,12H2,1H3,(H,26,27)/t18-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQIIOSWRCGJVPD-GHTZIAJQSA-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