General Information of the Compound
| Compound ID |
CP0451051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4R)-3-[4-(2-methoxyphenyl)benzoyl]-2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20N2O4S
|
||||||||||||||||||
| Molecular Weight |
420.49
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1-c1ccc(cc1)C(=O)N1[C@@H](CS[C@@H]1c1ccccn1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N2O4S/c1-29-20-8-3-2-6-17(20)15-9-11-16(12-10-15)21(26)25-19(23(27)28)14-30-22(25)18-7-4-5-13-24-18/h2-13,19,22H,14H2,1H3,(H,27,28)/t19-,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYSGANIBNIEQTO-SIKLNZKXSA-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