General Information of the Compound
| Compound ID |
CP0176545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4S)-1-[2-[4-[[4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]phenyl]ethyl]-2-(hydroxymethyl)piperidin-4-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25F4N3O2S
|
||||||||||||||||||
| Molecular Weight |
495.542
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)-c2cc(ccc2F)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25F4N3O2S/c25-21-6-3-16(24(26,27)28)11-20(21)22-14-34-23(30-22)29-17-4-1-15(2-5-17)7-9-31-10-8-19(33)12-18(31)13-32/h1-6,11,14,18-19,32-33H,7-10,12-13H2,(H,29,30)/t18-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJIKLEJWYCWXIR-MOPGFXCFSA-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