General Information of the Compound
| Compound ID |
CP0452081
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,4-dichlorophenyl)-7-({[2-(1- ethylpiperidin-4-yl)-1,3-thiazol-4- yl]methyl}oxy)-6-(methyloxy)quinazolin-4- amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27Cl2N5O2S
|
||||||||||||||||||
| Molecular Weight |
544.508
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCC(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27Cl2N5O2S/c1-3-33-8-6-16(7-9-33)26-32-18(14-36-26)13-35-24-12-22-19(11-23(24)34-2)25(30-15-29-22)31-17-4-5-20(27)21(28)10-17/h4-5,10-12,14-16H,3,6-9,13H2,1-2H3,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJLBXUKNKUWCED-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