General Information of the Compound
| Compound ID |
CP0944242
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-(6-(Aminomethyl)pyrimidin-4-yl)oxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2(1H)-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19ClN4O3
|
||||||||||||||||||
| Molecular Weight |
350.806
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(Oc2cccc3c2CCC(=O)N3CCO)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18N4O3.ClH/c17-9-11-8-15(19-10-18-11)23-14-3-1-2-13-12(14)4-5-16(22)20(13)6-7-21;/h1-3,8,10,21H,4-7,9,17H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ITVBTHIVWVHMHQ-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