General Information of the Compound
| Compound ID |
CP0946629
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,6-Dichloro-5-(2-fluoro-benzyl)-2-pyridin-2-yl-pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H10Cl2FN3
|
||||||||||||||||||
| Molecular Weight |
334.181
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccccc1Cc1c(Cl)nc(-c2ccccn2)nc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H10Cl2FN3/c17-14-11(9-10-5-1-2-6-12(10)19)15(18)22-16(21-14)13-7-3-4-8-20-13/h1-8H,9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FMFLWFCPOVNQPY-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