General Information of the Compound
| Compound ID |
CP0137589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethyl)-isoxazole-4-carboxylic acid [2-(piperidine-1-carbonyl)-phenyl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29Cl2N3O5
|
||||||||||||||||||
| Molecular Weight |
558.462
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(Cl)c1-c1noc(CCC2OCCCO2)c1C(=O)Nc1ccccc1C(=O)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29Cl2N3O5/c29-19-9-6-10-20(30)24(19)26-25(22(38-32-26)12-13-23-36-16-7-17-37-23)27(34)31-21-11-3-2-8-18(21)28(35)33-14-4-1-5-15-33/h2-3,6,8-11,23H,1,4-5,7,12-17H2,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXFUTVDCUMBKIO-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