General Information of the Compound
| Compound ID |
CP0294441
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29F3N4O3S
|
||||||||||||||||||
| Molecular Weight |
534.604
|
||||||||||||||||||
| Canonical SMILES |
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(Cc4cccc(c4)C(F)(F)F)CC3)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29F3N4O3S/c1-4-33(16(2)34)20-8-9-21(36-3)22-23(20)37-25(30-22)31-24(35)18-10-12-32(13-11-18)15-17-6-5-7-19(14-17)26(27,28)29/h5-9,14,18H,4,10-13,15H2,1-3H3,(H,30,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMVHCFMRXIFNMI-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