General Information of the Compound
| Compound ID |
CP0052534
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-(2,6-dichloro-phenyl)-isoxazole-4-carboxylic acid (4-diethylamino-cyclohexyl)-amide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H33Cl2N3O4
|
||||||||||||||||||
| Molecular Weight |
558.506
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCc2ccc3OCOc3c2)onc1-c1c(Cl)cccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33Cl2N3O4/c1-3-34(4-2)20-12-10-19(11-13-20)32-29(35)27-24(15-9-18-8-14-23-25(16-18)37-17-36-23)38-33-28(27)26-21(30)6-5-7-22(26)31/h5-8,14,16,19-20H,3-4,9-13,15,17H2,1-2H3,(H,32,35)/t19-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZMXSCCKIRGCWFL-MXVIHJGJSA-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