General Information of the Compound
| Compound ID |
CP0213664
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-pyrazol-1-yl)phenyl]sulfonyl}piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F4N4O2S
|
||||||||||||||||||
| Molecular Weight |
468.476
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1cccc(c1)-n1cccn1)c1ccc(F)cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F4N4O2S/c1-15-14-27(20-7-6-16(22)12-19(20)21(23,24)25)10-11-29(15)32(30,31)18-5-2-4-17(13-18)28-9-3-8-26-28/h2-9,12-13,15H,10-11,14H2,1H3/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMCDJPTXKAILPP-OAHLLOKOSA-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