General Information of the Compound
| Compound ID |
CP0222552
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3,5-Bis-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H14F2N2
|
||||||||||||||||||
| Molecular Weight |
332.353
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14F2N2/c22-17-5-1-14(2-6-17)19-13-20(15-3-7-18(23)8-4-15)25-21(19)16-9-11-24-12-10-16/h1-13,25H
Show/Hide
|
||||||||||||||||||
| InChIKey |
QSUCCHXYMZTHEG-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