General Information of the Compound
| Compound ID |
CP0580081
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R)-3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16ClF2N3O3
|
||||||||||||||||||
| Molecular Weight |
419.815
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2ncc(o2)-c2ccc(Cl)cc2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16ClF2N3O3/c1-28-12-6-14(22)17(15(23)7-12)13-8-24-19(27)18(13)26-20-25-9-16(29-20)10-2-4-11(21)5-3-10/h2-7,9,13,18H,8H2,1H3,(H,24,27)(H,25,26)/t13-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSQAFHDNXKNONB-UGSOOPFHSA-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 | |||||||||||||||||||
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