General Information of the Compound
| Compound ID |
CP0529720
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(4-methoxypyrimidin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21ClF2N4O2
|
||||||||||||||||||
| Molecular Weight |
410.852
|
||||||||||||||||||
| Canonical SMILES |
COc1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21ClF2N4O2/c1-28-17-4-7-24-16(25-17)11-23-12-19(22)5-8-26(9-6-19)18(27)13-2-3-15(21)14(20)10-13/h2-4,7,10,23H,5-6,8-9,11-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SMNUZCNGNRFUPE-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