General Information of the Compound
| Compound ID |
CP0434025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenyl]methyl]-N-(3-methoxypropyl)-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H41N3O2
|
||||||||||||||||||
| Molecular Weight |
487.688
|
||||||||||||||||||
| Canonical SMILES |
COCCCN(Cc1ccccc1-c1ccc(CN(C)CCN(C)C)cc1)C(=O)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H41N3O2/c1-32(2)20-21-33(3)24-27-15-17-28(18-16-27)30-14-9-8-13-29(30)25-34(19-10-22-36-4)31(35)23-26-11-6-5-7-12-26/h5-9,11-18H,10,19-25H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VENNTGAOEMSNFB-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