General Information of the Compound
| Compound ID |
CP0539572
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylazetidin-1-yl)butyl]-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
457.405
|
||||||||||||||||||
| Canonical SMILES |
CN(CC(CCN1CC(C1)n1ccnc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26Cl2N4O/c1-28(24(31)18-5-3-2-4-6-18)14-20(19-7-8-22(25)23(26)13-19)9-11-29-15-21(16-29)30-12-10-27-17-30/h2-8,10,12-13,17,20-21H,9,11,14-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYMTYZDAWWKBMX-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