General Information of the Compound
| Compound ID |
CP0943776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium 4-[(4-butoxyphenyl)thio]-20-(1,12-dihydroxydodec-2-yn-1-yl)biphenyl-3-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H44O6S2
|
||||||||||||||||||
| Molecular Weight |
624.865
|
||||||||||||||||||
| Canonical SMILES |
CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCCCCCCCCCCO)cc2S(=O)(=O)O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H44O6S2/c1-2-3-26-41-29-20-22-30(23-21-29)42-34-24-19-28(27-35(34)43(38,39)40)31-16-13-14-17-32(31)33(37)18-12-10-8-6-4-5-7-9-11-15-25-36/h13-14,16-17,19-24,27,33,36-37H,2-11,15,25-26H2,1H3,(H,38,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FINSCCNEFVNFKE-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