General Information of the Compound
| Compound ID |
CP0553266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-tert-butyl-4-[6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-enamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H37N7O
|
||||||||||||||||||
| Molecular Weight |
487.652
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(C\C=C\C(=O)NC(C)(C)C)CCc3c2)ncc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37N7O/c1-19(2)35-18-23(16-30-35)26-20(3)15-29-27(32-26)31-24-10-9-22-17-34(13-11-21(22)14-24)12-7-8-25(36)33-28(4,5)6/h7-10,14-16,18-19H,11-13,17H2,1-6H3,(H,33,36)(H,29,31,32)/b8-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTXYLZDFHZWFDW-BQYQJAHWSA-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