General Information of the Compound
| Compound ID |
CP0386099
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-ethoxy-3-(4-(2-(5-methyl-2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)ethoxy)naphthalen-1-yl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26F3NO5
|
||||||||||||||||||
| Molecular Weight |
513.512
|
||||||||||||||||||
| Canonical SMILES |
CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(cc2)C(F)(F)F)c2ccccc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26F3NO5/c1-3-35-25(27(33)34)16-19-10-13-24(22-7-5-4-6-21(19)22)36-15-14-23-17(2)37-26(32-23)18-8-11-20(12-9-18)28(29,30)31/h4-13,25H,3,14-16H2,1-2H3,(H,33,34)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZVGUNNFYQRWCJ-VWLOTQADSA-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