General Information of the Compound
| Compound ID |
CP0228018
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(3-(2-fluoropyridin-3-yl)phenyl)-8-(4-(trifluoromethoxy)phenyl)-4,8-dihydro-3H-imidazo[5,1-c][1,2,4]oxadiazin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17F4N5O2
|
||||||||||||||||||
| Molecular Weight |
471.414
|
||||||||||||||||||
| Canonical SMILES |
NC1=NC(C2=NOCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17F4N5O2/c24-19-18(5-2-10-29-19)14-3-1-4-16(13-14)22(20-31-33-12-11-32(20)21(28)30-22)15-6-8-17(9-7-15)34-23(25,26)27/h1-10,13H,11-12H2,(H2,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCODXNNXABJQIY-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