General Information of the Compound
| Compound ID |
CP0431838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-ethoxy-3-[4-[[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24O4
|
||||||||||||||||||
| Molecular Weight |
340.419
|
||||||||||||||||||
| Canonical SMILES |
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24O4/c1-3-24-20(13-21(22)23)15-7-9-16(10-8-15)25-19-12-11-17-14(2)5-4-6-18(17)19/h4-10,19-20H,3,11-13H2,1-2H3,(H,22,23)/t19-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKWQDRBIKPNDGP-UXHICEINSA-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