General Information of the Compound
| Compound ID |
CP0423809
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-chlorophenoxy)-N-(1-((1-(4-cyanophenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25ClN4O2
|
||||||||||||||||||
| Molecular Weight |
448.954
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(OCC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C#N)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25ClN4O2/c26-21-2-1-3-24(14-21)32-18-25(31)28-22-9-11-29(12-10-22)16-20-8-13-30(17-20)23-6-4-19(15-27)5-7-23/h1-8,13-14,17,22H,9-12,16,18H2,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOJCSYXNGZKDMH-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