General Information of the Compound
| Compound ID |
CP0439047
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-(Acetyl-methyl-amino)-ethyl]-3-(2,6-dichloro-phenyl)-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
503.43
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(CCN(C)C(C)=O)onc2-c2c(Cl)cccc2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28Cl2N4O3/c1-5-31(6-2)18-12-10-17(11-13-18)28-25(33)23-21(14-15-30(4)16(3)32)34-29-24(23)22-19(26)8-7-9-20(22)27/h7-13H,5-6,14-15H2,1-4H3,(H,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKVCCDDWTPMTEH-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