General Information of the Compound
| Compound ID |
CP0410083
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-(2,4-difluorophenethyl)-6-fluorospiro[2H-chromene-2,4'-(hexahydropyridine)]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F3NO
|
||||||||||||||||||
| Molecular Weight |
359.391
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CCN2CCC3(CC2)Oc2ccc(F)cc2C=C3)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F3NO/c22-17-3-4-20-16(13-17)5-7-21(26-20)8-11-25(12-9-21)10-6-15-1-2-18(23)14-19(15)24/h1-5,7,13-14H,6,8-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTKIFNUUHOERMF-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor