General Information of the Compound
| Compound ID |
CP0891260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4R)-6-Fluoro-3-(4-fluoropiperidin-3-yl)-2-naphthalen-2-yl-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20F2N2
|
||||||||||||||||||
| Molecular Weight |
362.423
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccc4ccccc34)[nH]c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20F2N2/c24-15-8-9-18-21(12-15)27-23(22(18)19-13-26-11-10-20(19)25)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,19-20,26-27H,10-11,13H2/t19-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWGNKABGVNJFEL-WOJBJXKFSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2