General Information of the Compound
| Compound ID |
CP0437010
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-6-(phenethylamino)-4-(pyrimidin-4-yl)pyridin-2(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18N4O
|
||||||||||||||||||
| Molecular Weight |
306.369
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(NCCc2ccccc2)cc(cc1=O)-c1ccncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N4O/c1-22-17(20-10-7-14-5-3-2-4-6-14)11-15(12-18(22)23)16-8-9-19-13-21-16/h2-6,8-9,11-13,20H,7,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHMSCMGRRJBNQA-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