General Information of the Compound
| Compound ID |
CP0157749
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)(naphthalen-2-ylmethyl)amino)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H30N2O4
|
||||||||||||||||||
| Molecular Weight |
506.602
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccc3ccccc3c2)c1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H30N2O4/c1-23-30(33-32(38-23)27-10-3-2-4-11-27)16-17-37-29-13-7-8-24(19-29)20-34(22-31(35)36)21-25-14-15-26-9-5-6-12-28(26)18-25/h2-15,18-19H,16-17,20-22H2,1H3,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUBYXZHNJJOWHG-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