General Information of the Compound
| Compound ID |
CP0433243
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-(3-hydroxypiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22F3N5O3S
|
||||||||||||||||||
| Molecular Weight |
529.544
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(nc(n3)N3CCCC(O)C3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F3N5O3S/c1-14(34)29-24-32-22-19(5-2-6-20(22)37-24)36-21-12-18(15-7-9-16(10-8-15)25(26,27)28)30-23(31-21)33-11-3-4-17(35)13-33/h2,5-10,12,17,35H,3-4,11,13H2,1H3,(H,29,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQZFVCSTZZQWEP-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