General Information of the Compound
| Compound ID |
CP0443189
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27ClN2O2
|
||||||||||||||||||
| Molecular Weight |
374.912
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27ClN2O2/c1-24(2)15-14-20(17-7-9-18(22)10-8-17)23-21(25)13-6-16-4-11-19(26-3)12-5-16/h4-5,7-12,20H,6,13-15H2,1-3H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMMSRFZZLSBZRR-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