General Information of the Compound
| Compound ID |
CP0238714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27F3N4O3S
|
||||||||||||||||||
| Molecular Weight |
520.577
|
||||||||||||||||||
| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(CC3)c3cccc(c3)C(F)(F)F)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27F3N4O3S/c1-4-32(15(2)33)19-8-9-20(35-3)21-22(19)36-23(29-21)30-24(34)31-12-10-16(11-13-31)17-6-5-7-18(14-17)25(26,27)28/h5-9,14,16H,4,10-13H2,1-3H3,(H,29,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCOQRPPGECKENM-UHFFFAOYSA-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