General Information of the Compound
| Compound ID |
CP0859980
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenoxy]-o-tolyl-acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19NO6
|
||||||||||||||||||
| Molecular Weight |
417.417
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1[C@H](Oc1cc(OCc2ccc3c(c2)OCO3)ccc1C#N)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19NO6/c1-15-4-2-3-5-19(15)23(24(26)27)31-21-11-18(8-7-17(21)12-25)28-13-16-6-9-20-22(10-16)30-14-29-20/h2-11,23H,13-14H2,1H3,(H,26,27)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWFARXSGRUQKRX-QHCPKHFHSA-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