General Information of the Compound
| Compound ID |
CP0960399
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-((6,7-Dimethoxyquinazolin-4-yl)oxy)phenyl)-2-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N5O4S
|
||||||||||||||||||
| Molecular Weight |
465.535
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(Oc3ccc(NC(=O)Cc4nnc(C(C)C)s4)cc3)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N5O4S/c1-13(2)23-28-27-21(33-23)11-20(29)26-14-5-7-15(8-6-14)32-22-16-9-18(30-3)19(31-4)10-17(16)24-12-25-22/h5-10,12-13H,11H2,1-4H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXBLRMHUVSUXQY-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