General Information of the Compound
| Compound ID |
CP0067583
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-3,3,3-trifluoro-2-[5-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]-2-hydroxypropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18F7N3O4S2
|
||||||||||||||||||
| Molecular Weight |
549.49
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(s1)[C@@](O)(C(N)=O)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18F7N3O4S2/c1-10-9-28(13-3-2-11(20)8-12(13)18(21,22)23)6-7-29(10)35(32,33)15-5-4-14(34-15)17(31,16(27)30)19(24,25)26/h2-5,8,10,31H,6-7,9H2,1H3,(H2,27,30)/t10-,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQHKFYHHIIOAEO-BMLIUANNSA-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2