General Information of the Compound
| Compound ID |
CP0421539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(aminomethyl)-6-(2-chloro-4-fluorophenyl)quinolin-4(1H)-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12ClFN2O
|
||||||||||||||||||
| Molecular Weight |
302.736
|
||||||||||||||||||
| Canonical SMILES |
NCc1cc(=O)c2cc(ccc2[nH]1)-c1ccc(F)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12ClFN2O/c17-14-6-10(18)2-3-12(14)9-1-4-15-13(5-9)16(21)7-11(8-19)20-15/h1-7H,8,19H2,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUHKPOKSRFUEBP-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