General Information of the Compound
| Compound ID |
CP0870184
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-{4-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-piperidin-1-yl}-benzyl)-thiazolidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
459.999
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4cccc(Cl)c4)CC3)cc2)S1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26ClN3O3S/c24-17-3-1-2-16(13-17)20(28)14-25-18-8-10-27(11-9-18)19-6-4-15(5-7-19)12-21-22(29)26-23(30)31-21/h1-7,13,18,20-21,25,28H,8-12,14H2,(H,26,29,30)/t20-,21?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDFPMDURAIDMJI-BGERDNNASA-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