General Information of the Compound
| Compound ID |
CP0426587
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-fluoro-3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21FN4O2
|
||||||||||||||||||
| Molecular Weight |
368.412
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1c(nc2cc(F)ccc2c1=O)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21FN4O2/c1-23-9-11-24(12-10-23)20-22-18-13-14(21)3-8-17(18)19(26)25(20)15-4-6-16(27-2)7-5-15/h3-8,13H,9-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKXWTUJCWBZVDN-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