General Information of the Compound
| Compound ID |
CP0015176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[(N-ethyl-4-fluoroanilino)methyl]-5-methyl-7-oxothieno[2,3-c]pyridin-6-yl]propanenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20FN3OS
|
||||||||||||||||||
| Molecular Weight |
369.465
|
||||||||||||||||||
| Canonical SMILES |
CCN(Cc1cc2cc(C)n(CCC#N)c(=O)c2s1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20FN3OS/c1-3-23(17-7-5-16(21)6-8-17)13-18-12-15-11-14(2)24(10-4-9-22)20(25)19(15)26-18/h5-8,11-12H,3-4,10,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPBOOUALJMWGCA-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 | |||||||||||||||||||
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