General Information of the Compound
| Compound ID |
CP0901039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-((3-(3,5-dimethylisoxazol-4-yl)benzyl)oxy)phenyl)propanoic-2,2-d2 acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21NO4
|
||||||||||||||||||
| Molecular Weight |
353.4142036
|
||||||||||||||||||
| Canonical SMILES |
[2H]C([2H])(Cc1ccc(OCc2cccc(-c3c(C)noc3C)c2)cc1)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21NO4/c1-14-21(15(2)26-22-14)18-5-3-4-17(12-18)13-25-19-9-6-16(7-10-19)8-11-20(23)24/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,23,24)/i11D2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKUNICUZFCNKOS-ZWGOZCLVSA-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