General Information of the Compound
| Compound ID |
CP0494839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-tert-Butyl-2-[(E)-2-(2,3-dihydro-benzo[1,4]dioxin-6-ylcarbamoyl)-vinyl]-benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23NO5
|
||||||||||||||||||
| Molecular Weight |
381.428
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)c(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23NO5/c1-22(2,3)15-6-4-14(17(12-15)21(25)26)5-9-20(24)23-16-7-8-18-19(13-16)28-11-10-27-18/h4-9,12-13H,10-11H2,1-3H3,(H,23,24)(H,25,26)/b9-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCSIGIOEZOCRAG-WEVVVXLNSA-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