General Information of the Compound
| Compound ID |
CP0544781
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[(2,6-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26Cl2N4O4S
|
||||||||||||||||||
| Molecular Weight |
513.447
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccc(cc1)C1=NCCN1)C(=O)COCCN(C)S(=O)(=O)c1c(Cl)cccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26Cl2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)21-18(23)4-3-5-19(21)24/h3-9H,10-15H2,1-2H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMCDNLOHEZEVKI-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