General Information of the Compound
| Compound ID |
CP0410984
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25Cl2N3O4
|
||||||||||||||||||
| Molecular Weight |
442.343
|
||||||||||||||||||
| Canonical SMILES |
OC1=C(CN(CCN2CCOCC2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25Cl2N3O4/c21-16-4-3-14(12-17(16)22)2-1-5-23-19(27)15-13-25(20(28)18(15)26)7-6-24-8-10-29-11-9-24/h3-4,12,26H,1-2,5-11,13H2,(H,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GEBOFGZVLSPGBU-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