General Information of the Compound
| Compound ID |
CP0474585
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinazolin-6-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26ClN5O2
|
||||||||||||||||||
| Molecular Weight |
439.947
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CC1)c1nc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26ClN5O2/c1-3-28-10-12-29(13-11-28)23-25-16(2)20-14-18(6-9-21(20)27-23)26-22(30)15-31-19-7-4-17(24)5-8-19/h4-9,14H,3,10-13,15H2,1-2H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MONZDQXDCWAFKK-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