General Information of the Compound
| Compound ID |
CP0550521
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
sodium;4-[[3-[(4-cyanonaphthalen-1-yl)-methylamino]pyridin-4-yl]sulfanylmethyl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18N3NaO2S
|
||||||||||||||||||
| Molecular Weight |
447.495
|
||||||||||||||||||
| Canonical SMILES |
[Na+].CN(c1cnccc1SCc1ccc(cc1)C([O-])=O)c1ccc(C#N)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19N3O2S.Na/c1-28(22-11-10-19(14-26)20-4-2-3-5-21(20)22)23-15-27-13-12-24(23)31-16-17-6-8-18(9-7-17)25(29)30;/h2-13,15H,16H2,1H3,(H,29,30);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZSDFFVQINARFR-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