General Information of the Compound
| Compound ID |
CP0869553
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-1-((6-methoxypyridin-3-yl)methyl)-3,4-dihydroquinolin-2(1H)-one trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F3N5O5
|
||||||||||||||||||
| Molecular Weight |
505.453
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CN2C(=O)CCc3c(Oc4cc(CN)ncn4)cccc32)cn1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N5O3.C2HF3O2/c1-28-19-7-5-14(11-23-19)12-26-17-3-2-4-18(16(17)6-8-21(26)27)29-20-9-15(10-22)24-13-25-20;3-2(4,5)1(6)7/h2-5,7,9,11,13H,6,8,10,12,22H2,1H3;(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKIVOOXLCLTQIV-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 | |||||||||||||||||||
| 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