General Information of the Compound
| Compound ID |
CP0959227
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-((5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-2-ethylquinolin-4-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C23H21N7O
|
||||||||||||||||||
| Molecular Weight |
411.469
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(N)c2ccc(OCc3cncc(-n4ccc5c(N)ncnc54)c3)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N7O/c1-2-15-8-20(24)18-4-3-17(9-21(18)29-15)31-12-14-7-16(11-26-10-14)30-6-5-19-22(25)27-13-28-23(19)30/h3-11,13H,2,12H2,1H3,(H2,24,29)(H2,25,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDXNONFWBMSEDD-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
|
||||||||||||||||||
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