General Information of the Compound
| Compound ID |
CP0317539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-({2-[3-hydroxy-2-(methoxycarbonyl)phenoxy]ethyl}amino)phenyl]-1,2-oxazole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N2O7
|
||||||||||||||||||
| Molecular Weight |
398.371
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1c(O)cccc1OCCNc1cccc(c1)-c1cc(no1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N2O7/c1-27-20(26)18-15(23)6-3-7-16(18)28-9-8-21-13-5-2-4-12(10-13)17-11-14(19(24)25)22-29-17/h2-7,10-11,21,23H,8-9H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDNDGFOQLUIHEF-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