General Information of the Compound
| Compound ID |
CP0941210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium 20-(1-hydroxytridec-2-yn-1-yl)-4-[(4-methoxyphenyl)thio]biphenyl-3-sulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37NaO5S2
|
||||||||||||||||||
| Molecular Weight |
588.767
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OC)cc2)c(S(=O)(=O)[O-])c1.[Na+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38O5S2.Na/c1-3-4-5-6-7-8-9-10-11-12-17-30(33)29-16-14-13-15-28(29)25-18-23-31(32(24-25)39(34,35)36)38-27-21-19-26(37-2)20-22-27;/h13-16,18-24,30,33H,3-11H2,1-2H3,(H,34,35,36);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROJBBCNDCKBZAB-UHFFFAOYSA-M
|
||||||||||||||||||
| 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