General Information of the Compound
| Compound ID |
CP0904136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(6-(Aminomethyl)pyrimidin-4-yl)-5-(benzyloxy)-3,4-dihydroquinolin-2(1H)-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClN4O2
|
||||||||||||||||||
| Molecular Weight |
396.878
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(N2C(=O)CCc3c(OCc4ccccc4)cccc32)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4O2.ClH/c22-12-16-11-20(24-14-23-16)25-18-7-4-8-19(17(18)9-10-21(25)26)27-13-15-5-2-1-3-6-15;/h1-8,11,14H,9-10,12-13,22H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKGYDZHWOSDJFW-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