General Information of the Compound
| Compound ID |
CP0949061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-(3-(4-Amino-3-(3-methoxy-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N7O3
|
||||||||||||||||||
| Molecular Weight |
485.548
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4ccccn4)c(OC)c3)c3c(N)ncnc32)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N7O3/c1-3-22(34)32-12-6-8-19(14-32)33-26-23(25(27)29-16-30-26)24(31-33)17-9-10-20(21(13-17)35-2)36-15-18-7-4-5-11-28-18/h3-5,7,9-11,13,16,19H,1,6,8,12,14-15H2,2H3,(H2,27,29,30)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEWGJJPXNOMHNW-LJQANCHMSA-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