General Information of the Compound
| Compound ID |
CP0529113
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-(4-chlorophenyl)-2-(methylamino)pyrimidin-4-yl]-2-methoxyphenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16ClN3O2
|
||||||||||||||||||
| Molecular Weight |
341.798
|
||||||||||||||||||
| Canonical SMILES |
CNc1nc(cc(n1)-c1ccc(O)c(OC)c1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16ClN3O2/c1-20-18-21-14(11-3-6-13(19)7-4-11)10-15(22-18)12-5-8-16(23)17(9-12)24-2/h3-10,23H,1-2H3,(H,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BXCXFZGXZIOAES-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