General Information of the Compound
| Compound ID |
CP0182277
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-Cyclohexyl-3-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21FN2
|
||||||||||||||||||
| Molecular Weight |
320.411
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-c1cc([nH]c1-c1ccncc1)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21FN2/c22-18-8-6-15(7-9-18)19-14-20(16-4-2-1-3-5-16)24-21(19)17-10-12-23-13-11-17/h6-14,16,24H,1-5H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVOWJSITTRQRSW-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