General Information of the Compound
| Compound ID |
CP0256967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1S)-5-[3-(2-methoxy-4-methylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26O5
|
||||||||||||||||||
| Molecular Weight |
370.445
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26O5/c1-15-4-9-20(21(12-15)25-2)27-11-3-10-26-18-7-8-19-16(13-18)5-6-17(19)14-22(23)24/h4,7-9,12-13,17H,3,5-6,10-11,14H2,1-2H3,(H,23,24)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FUAUMTGROOJWPA-KRWDZBQOSA-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