General Information of the Compound
| Compound ID |
CP0335008
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-(2-Trifluoromethyl-phenyl)-1H-benzimidazol-2-yl]-1-oxa-2-aza-spiro[4.5]dec-2-ene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20F3N3O
|
||||||||||||||||||
| Molecular Weight |
399.416
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20F3N3O/c23-22(24,25)16-7-3-2-6-15(16)14-8-9-17-18(12-14)27-20(26-17)19-13-21(29-28-19)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NHSSRJOHWVTSGG-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