General Information of the Compound
| Compound ID |
CP0216347
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-chloro-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24ClFN4O2
|
||||||||||||||||||
| Molecular Weight |
430.911
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCC1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24ClFN4O2/c1-28-7-5-14(6-8-28)12-30-21-10-16-18(11-20(21)29-2)25-13-26-22(16)27-19-9-15(23)3-4-17(19)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JARRHXQJNGEMMS-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