General Information of the Compound
| Compound ID |
CP0441746
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[(3-phenoxyphenyl)methylamino]phenyl]-1-pyrrolidin-1-ylpropan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N2O2
|
||||||||||||||||||
| Molecular Weight |
400.522
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N2O2/c29-26(28-17-4-5-18-28)16-13-21-11-14-23(15-12-21)27-20-22-7-6-10-25(19-22)30-24-8-2-1-3-9-24/h1-3,6-12,14-15,19,27H,4-5,13,16-18,20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMWAIDULOTZRGQ-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