General Information of the Compound
| Compound ID |
CP0074026
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-4-[(2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidin-1-yl]-3-methylbenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H13ClN2O2
|
||||||||||||||||||
| Molecular Weight |
264.712
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(Cl)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H13ClN2O2/c1-7-10(4-3-9(6-15)13(7)14)16-8(2)11(17)5-12(16)18/h3-4,8,11,17H,5H2,1-2H3/t8-,11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MICGJZAPBDCVHU-KWQFWETISA-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