General Information of the Compound
| Compound ID |
CP0449670
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylphenyl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N2O2
|
||||||||||||||||||
| Molecular Weight |
338.451
|
||||||||||||||||||
| Canonical SMILES |
CCC(C(=O)Nc1ccccc1N1CCCC1)c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N2O2/c1-3-18(16-10-12-17(25-2)13-11-16)21(24)22-19-8-4-5-9-20(19)23-14-6-7-15-23/h4-5,8-13,18H,3,6-7,14-15H2,1-2H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NEOFIVWIFVWLGU-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