General Information of the Compound
| Compound ID |
CP0574293
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium;2-[[3-(4-cyanonaphthalen-1-yl)oxypyridin-4-yl]sulfanylmethyl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H15N2NaO3S
|
||||||||||||||||||
| Molecular Weight |
434.452
|
||||||||||||||||||
| Canonical SMILES |
[Na+].[O-]C(=O)c1ccccc1CSc1ccncc1Oc1ccc(C#N)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H16N2O3S.Na/c25-13-16-9-10-21(20-8-4-3-6-18(16)20)29-22-14-26-12-11-23(22)30-15-17-5-1-2-7-19(17)24(27)28;/h1-12,14H,15H2,(H,27,28);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSSSFTAWSNPAAF-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