General Information of the Compound
| Compound ID |
CP0049844
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Benzyl-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-amino)-acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N2O4
|
||||||||||||||||||
| Molecular Weight |
456.542
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccccc2)cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-10-6-3-7-11-24)16-17-33-25-14-12-23(13-15-25)19-30(20-27(31)32)18-22-8-4-2-5-9-22/h2-15H,16-20H2,1H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBXHBLXYBPVCLB-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