General Information of the Compound
| Compound ID |
CP0577111
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium;6-[3-[(4-cyanonaphthalen-1-yl)-methylamino]pyridin-4-yl]sulfanylhexanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22N3NaO2S
|
||||||||||||||||||
| Molecular Weight |
427.505
|
||||||||||||||||||
| Canonical SMILES |
[Na+].CN(c1cnccc1SCCCCCC([O-])=O)c1ccc(C#N)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N3O2S.Na/c1-26(20-11-10-17(15-24)18-7-4-5-8-19(18)20)21-16-25-13-12-22(21)29-14-6-2-3-9-23(27)28;/h4-5,7-8,10-13,16H,2-3,6,9,14H2,1H3,(H,27,28);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RENVDGGNVJAGJP-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 | |||||||||||||||||||
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