General Information of the Compound
| Compound ID |
CP0965015
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(5-(2-(2-(azetidin-1-yl)quinolin-7-yl)ethyl)pyridin-3-yl)-5-(tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29N7O
|
||||||||||||||||||
| Molecular Weight |
491.599
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2c1c(C1CCCO1)cn2-c1cncc(CCc2ccc3ccc(N4CCC4)nc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29N7O/c30-28-27-23(25-3-1-12-37-25)17-36(29(27)33-18-32-28)22-13-20(15-31-16-22)5-4-19-6-7-21-8-9-26(34-24(21)14-19)35-10-2-11-35/h6-9,13-18,25H,1-5,10-12H2,(H2,30,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSEWWRMKUOCLKZ-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 | |||||||||||||||||||
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