General Information of the Compound
| Compound ID |
CP0491236
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-(3,4-difluorophenyl)(5-((6-fluoro-1H-spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl)pyridin-2-yl)methanone O-ethyl oxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25F3N4O2
|
||||||||||||||||||
| Molecular Weight |
482.506
|
||||||||||||||||||
| Canonical SMILES |
CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25F3N4O2/c1-2-35-32-25(18-4-5-21(27)22(28)11-18)23-6-3-17(13-30-23)15-33-9-7-26(8-10-33)20-14-31-24(29)12-19(20)16-34-26/h3-6,11-14H,2,7-10,15-16H2,1H3/b32-25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
RAVKUBUGSJSXIV-MKCFTUBBSA-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
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2