General Information of the Compound
| Compound ID |
CP0426940
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[4-(5-fluoropyridin-2-yl)-4-hydroxypiperidin-1-yl]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F4N5O4
|
||||||||||||||||||
| Molecular Weight |
571.531
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(O)(CC1)c1ccc(F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F4N5O4/c1-17-22-14-19(35-25(38)16-40-20-4-6-21(7-5-20)41-28(30,31)32)3-8-23(22)36-26(34-17)37-12-10-27(39,11-13-37)24-9-2-18(29)15-33-24/h2-9,14-15,39H,10-13,16H2,1H3,(H,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJLZIZYPEHICQG-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