General Information of the Compound
| Compound ID |
CP0440711
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[[5-(3-benzyl-5-fluoro-4-oxo-1,2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28FN3O4
|
||||||||||||||||||
| Molecular Weight |
525.58
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2cccc(F)c2C(=O)N1Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28FN3O4/c1-20(36)33-24-12-14-25(15-13-24)39-19-23-17-22(11-16-28(23)38-2)30-34-27-10-6-9-26(32)29(27)31(37)35(30)18-21-7-4-3-5-8-21/h3-17,30,34H,18-19H2,1-2H3,(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNHZIUVWNGYKMK-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