General Information of the Compound
| Compound ID |
CP0375609
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H9FN2OS
|
||||||||||||||||||
| Molecular Weight |
272.304
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)C#Cc1nc2CCNC(=O)c2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H9FN2OS/c15-10-3-1-2-9(8-10)4-5-12-17-11-6-7-16-14(18)13(11)19-12/h1-3,8H,6-7H2,(H,16,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNTBDLUANMYFHE-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