General Information of the Compound
| Compound ID |
CP0571832
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[6-(4-ethenylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C16H12N2O2S2
|
||||||||||||||||||
| Molecular Weight |
328.418
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CSc1ncnc2cc(sc12)-c1ccc(C=C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12N2O2S2/c1-2-10-3-5-11(6-4-10)13-7-12-15(22-13)16(18-9-17-12)21-8-14(19)20/h2-7,9H,1,8H2,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VMPKPSHIYIYJEW-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 | |||||||||||||||||||
| 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