General Information of the Compound
| Compound ID |
CP0224412
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24F3N7O
|
||||||||||||||||||
| Molecular Weight |
423.443
|
||||||||||||||||||
| Canonical SMILES |
CNc1nc(NC)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24F3N7O/c1-23-16-26-17(24-2)28-18(27-16)29-9-7-12(8-10-29)15(30)25-11-13-5-3-4-6-14(13)19(20,21)22/h3-6,12H,7-11H2,1-2H3,(H,25,30)(H2,23,24,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NISUNIYWKLJOMA-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