General Information of the Compound
| Compound ID |
CP0081718
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
403.845
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClFN5O2/c1-26(9-17(22)27)8-11-6-12-15(7-16(11)28-2)23-10-24-19(12)25-14-5-3-4-13(20)18(14)21/h3-7,10H,8-9H2,1-2H3,(H2,22,27)(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKIVCEBHTQSSGM-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