General Information of the Compound
| Compound ID |
CP0505625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26ClF3N4O2
|
||||||||||||||||||
| Molecular Weight |
482.934
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccc(cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26ClF3N4O2/c24-18-4-1-16(2-5-18)14-31-9-7-15(8-10-31)12-29-21(32)13-30-22(33)19-11-17(23(25,26)27)3-6-20(19)28/h1-6,11,15H,7-10,12-14,28H2,(H,29,32)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKNWXVJEVORFRQ-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