General Information of the Compound
| Compound ID |
CP0968045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-((6-(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrazin-2-yl)methoxy)-N-methylquinolin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17ClN8O
|
||||||||||||||||||
| Molecular Weight |
432.875
|
||||||||||||||||||
| Canonical SMILES |
CNc1ccc2ccc(OCc3cncc(-n4cc(Cl)c5c(N)ncnc54)n3)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17ClN8O/c1-24-17-5-3-12-2-4-14(6-16(12)29-17)31-10-13-7-25-8-18(28-13)30-9-15(22)19-20(23)26-11-27-21(19)30/h2-9,11H,10H2,1H3,(H,24,29)(H2,23,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MTBHNQOOMATRPD-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