General Information of the Compound
| Compound ID |
CP0475054
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(4-(diethylcarbamoyl)-2-(4-methylphenylsulfonamido)phenoxy)phenyl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N2O6S
|
||||||||||||||||||
| Molecular Weight |
496.585
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)c1ccc(Oc2cccc(CC(O)=O)c2)c(NS(=O)(=O)c2ccc(C)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N2O6S/c1-4-28(5-2)26(31)20-11-14-24(34-21-8-6-7-19(15-21)16-25(29)30)23(17-20)27-35(32,33)22-12-9-18(3)10-13-22/h6-15,17,27H,4-5,16H2,1-3H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQHTWDMPLSLFNW-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