General Information of the Compound
| Compound ID |
CP0083501
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-fluoro-2-[(4-methylpyridin-3-yl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17FN2S
|
||||||||||||||||||
| Molecular Weight |
312.413
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17FN2S/c1-12-4-6-20-9-13(12)10-21-7-5-15-16-8-14(19)2-3-17(16)22-18(15)11-21/h2-4,6,8-9H,5,7,10-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATNGVPCHSCNOMP-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