General Information of the Compound
| Compound ID |
CP0549082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-ethylpiperazin-1-yl)-7-fluoro-3-(4-methoxyphenyl)quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23FN4O2
|
||||||||||||||||||
| Molecular Weight |
382.439
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CC1)c1nc2cc(F)ccc2c(=O)n1-c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23FN4O2/c1-3-24-10-12-25(13-11-24)21-23-19-14-15(22)4-9-18(19)20(27)26(21)16-5-7-17(28-2)8-6-16/h4-9,14H,3,10-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDVRRMDXKLICNV-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