General Information of the Compound
| Compound ID |
CP0575939
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1S)-1-[[2-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20N2O5S
|
||||||||||||||||||
| Molecular Weight |
448.5
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)c1c2CCOCc2sc1C#Cc1ccc(=O)[nH]c1)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20N2O5S/c1-14(16-4-6-17(7-5-16)24(29)30)26-23(28)22-18-10-11-31-13-20(18)32-19(22)8-2-15-3-9-21(27)25-12-15/h3-7,9,12,14H,10-11,13H2,1H3,(H,25,27)(H,26,28)(H,29,30)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSRKBUUKEUNPFT-AWEZNQCLSA-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