General Information of the Compound
| Compound ID |
CP0140475
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 6-[3-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17ClN4O5S2
|
||||||||||||||||||
| Molecular Weight |
468.944
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17ClN4O5S2/c1-3-28-18(25)13-6-11(7-20)16(21-10(13)2)23-8-12(9-23)17(24)22-30(26,27)15-5-4-14(19)29-15/h4-6,12H,3,8-9H2,1-2H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VUULCTWERJCIOD-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