General Information of the Compound
| Compound ID |
CP0503338
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28F2N4O2
|
||||||||||||||||||
| Molecular Weight |
442.51
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccc(nc2)N2CCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28F2N4O2/c25-18-12-19(26)14-20(13-18)28-23(31)16-30(21-6-2-1-3-7-21)24(32)17-8-9-22(27-15-17)29-10-4-5-11-29/h8-9,12-15,21H,1-7,10-11,16H2,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIJHHCFXYWFGFS-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2