General Information of the Compound
| Compound ID |
CP0322353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-chloro-4-((2,5-dichlorobenzyl)(1-ethyl-5-oxopyrrolidin-3-yl)amino)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18Cl3N3O
|
||||||||||||||||||
| Molecular Weight |
422.743
|
||||||||||||||||||
| Canonical SMILES |
CCN1C[C@H](CC1=O)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18Cl3N3O/c1-2-25-12-17(9-20(25)27)26(11-14-7-15(21)4-6-18(14)22)16-5-3-13(10-24)19(23)8-16/h3-8,17H,2,9,11-12H2,1H3/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNKZIYHMIFFXTG-KRWDZBQOSA-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