General Information of the Compound
| Compound ID |
CP0965370
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-((5-(4-amino-5-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyridin-3-yl)methoxy)-2-ethylquinolin-4-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C28H29N7O
|
||||||||||||||||||
| Molecular Weight |
479.588
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(N)c2ccc(OCc3cncc(-n4cc(C5CCCC5)c5c(N)ncnc54)c3)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N7O/c1-2-19-10-24(29)22-8-7-21(11-25(22)34-19)36-15-17-9-20(13-31-12-17)35-14-23(18-5-3-4-6-18)26-27(30)32-16-33-28(26)35/h7-14,16,18H,2-6,15H2,1H3,(H2,29,34)(H2,30,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATXHIJBSVRRQNF-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