General Information of the Compound
| Compound ID |
CP0549512
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-but-2-ynyl-N-[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-6-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C24H28N6
|
||||||||||||||||||
| Molecular Weight |
400.53
|
||||||||||||||||||
| Canonical SMILES |
CC#CCN1CCc2cc(Nc3ncc(C)c(n3)-c3cnn(c3)C(C)C)ccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N6/c1-5-6-10-29-11-9-19-12-22(8-7-20(19)15-29)27-24-25-13-18(4)23(28-24)21-14-26-30(16-21)17(2)3/h7-8,12-14,16-17H,9-11,15H2,1-4H3,(H,25,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNWWMLQKGGMJEW-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: PT01214, Tyrosine-protein kinase JAK2
Protein ID: PT04886, Tyrosine-protein kinase JAK2