General Information of the Compound
| Compound ID |
CP0427819
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24F4N4
|
||||||||||||||||||
| Molecular Weight |
432.465
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1c(CN2CCC(F)(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24F4N4/c24-22(18-4-2-1-3-5-18)9-12-30(13-10-22)15-17-8-11-31-19(14-16-6-7-16)28-29-21(31)20(17)23(25,26)27/h1-5,8,11,16H,6-7,9-10,12-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKDSQCHOJBPSLQ-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