General Information of the Compound
| Compound ID |
CP0108312
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N7
|
||||||||||||||||||
| Molecular Weight |
397.486
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)n(n1)-c1nc(Nc2ccccn2)cc(n1)N1CCc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N7/c1-16-13-17(2)30(28-16)23-26-21(25-20-9-5-6-11-24-20)14-22(27-23)29-12-10-18-7-3-4-8-19(18)15-29/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,24,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRIUNMCLXYXUBY-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