General Information of the Compound
| Compound ID |
CP0539834
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1R,3S)-1-(1,3-benzodioxol-5-yl)-5-ethoxy-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-1,3-dihydroisoindol-2-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29NO8
|
||||||||||||||||||
| Molecular Weight |
507.539
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCO)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29NO8/c1-3-34-19-6-7-20-22(13-19)28(21-8-5-18(33-2)14-24(21)35-11-10-30)29(15-26(31)32)27(20)17-4-9-23-25(12-17)37-16-36-23/h4-9,12-14,27-28,30H,3,10-11,15-16H2,1-2H3,(H,31,32)/t27-,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIKCHHQFRMPLOK-VSGBNLITSA-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