General Information of the Compound
| Compound ID |
CP0578823
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium;7-[3-[(4-cyanonaphthalen-1-yl)-methylamino]pyridin-4-yl]sulfanylheptanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N3NaO2S
|
||||||||||||||||||
| Molecular Weight |
441.532
|
||||||||||||||||||
| Canonical SMILES |
[Na+].CN(c1cnccc1SCCCCCCC([O-])=O)c1ccc(C#N)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N3O2S.Na/c1-27(21-12-11-18(16-25)19-8-5-6-9-20(19)21)22-17-26-14-13-23(22)30-15-7-3-2-4-10-24(28)29;/h5-6,8-9,11-14,17H,2-4,7,10,15H2,1H3,(H,28,29);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYBSZCBPKZXWLN-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