General Information of the Compound
| Compound ID |
CP0564320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1S)-1-[[2-[2-(3-methoxyphenyl)ethynyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonyl]amino]ethyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23NO5S
|
||||||||||||||||||
| Molecular Weight |
461.539
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)C#Cc1sc2COCCc2c1C(=O)N[C@@H](C)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23NO5S/c1-16(18-7-9-19(10-8-18)26(29)30)27-25(28)24-21-12-13-32-15-23(21)33-22(24)11-6-17-4-3-5-20(14-17)31-2/h3-5,7-10,14,16H,12-13,15H2,1-2H3,(H,27,28)(H,29,30)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HARCBEJMSGCEMP-INIZCTEOSA-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