General Information of the Compound
| Compound ID |
CP0529311
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-chloro-4-fluorophenyl)-[4-[[[5-(difluoromethyl)pyrimidin-2-yl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClF4N4O
|
||||||||||||||||||
| Molecular Weight |
430.833
|
||||||||||||||||||
| Canonical SMILES |
FC(F)c1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClF4N4O/c20-14-7-12(1-2-15(14)21)18(29)28-5-3-19(24,4-6-28)11-25-10-16-26-8-13(9-27-16)17(22)23/h1-2,7-9,17,25H,3-6,10-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALRMLGZWEBQTCK-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