General Information of the Compound
| Compound ID |
CP0422139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C23H27N7
|
||||||||||||||||||
| Molecular Weight |
401.518
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCC#N)CCc3c2)ncc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N7/c1-16(2)30-15-20(13-26-30)22-17(3)12-25-23(28-22)27-21-6-5-19-14-29(9-4-8-24)10-7-18(19)11-21/h5-6,11-13,15-16H,4,7,9-10,14H2,1-3H3,(H,25,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKIWOZGLEJCAIM-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 | |||||||||||||||||||
| 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
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT04886, Tyrosine-protein kinase JAK2
Protein ID: PT01214, Tyrosine-protein kinase JAK2