General Information of the Compound
| Compound ID |
CP0271223
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29F3N4O
|
||||||||||||||||||
| Molecular Weight |
410.484
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29F3N4O/c22-21(23,24)17-3-5-18(6-4-17)25-20(29)27-12-10-26(11-13-27)14-16-2-1-9-28(15-16)19-7-8-19/h3-6,16,19H,1-2,7-15H2,(H,25,29)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHBZPIMWVGKCEK-INIZCTEOSA-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