General Information of the Compound
| Compound ID |
CP0473110
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 5-[[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H12N4O4S
|
||||||||||||||||||
| Molecular Weight |
380.385
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(CSc2nc(N)c(C#N)c(-c3ccco3)c2C#N)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H12N4O4S/c1-24-18(23)14-5-4-10(26-14)9-27-17-12(8-20)15(13-3-2-6-25-13)11(7-19)16(21)22-17/h2-6H,9H2,1H3,(H2,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IYHVFAWVQMTRPT-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT01278, Adenosine receptor A2b