General Information of the Compound
| Compound ID |
CP0422329
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-adamantyl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29F3N4O
|
||||||||||||||||||
| Molecular Weight |
422.495
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(nc1)N1CCN(CC(=O)NC2C3CC4CC(C3)CC2C4)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29F3N4O/c23-22(24,25)18-1-2-19(26-12-18)29-5-3-28(4-6-29)13-20(30)27-21-16-8-14-7-15(10-16)11-17(21)9-14/h1-2,12,14-17,21H,3-11,13H2,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYMYQEBDEJHMBR-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