General Information of the Compound
| Compound ID |
CP0002251
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-chloro-2'-fluoro-5-((1-methylpyrrolidin-2-yl)methoxy)-3,4'-bipyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17ClFN3O
|
||||||||||||||||||
| Molecular Weight |
321.783
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC[C@H]1COc1cnc(Cl)c(c1)-c1ccnc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17ClFN3O/c1-21-6-2-3-12(21)10-22-13-8-14(16(17)20-9-13)11-4-5-19-15(18)7-11/h4-5,7-9,12H,2-3,6,10H2,1H3/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XEVHKKSDQCKXQE-LBPRGKRZSA-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