General Information of the Compound
| Compound ID |
CP0422122
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethoxy)-3-methoxyphenyl]-5-ethoxy-1,3-dihydroisoindol-2-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27NO9
|
||||||||||||||||||
| Molecular Weight |
521.522
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cccc(OC)c1OCC(O)=O)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27NO9/c1-3-35-17-8-9-18-20(12-17)27(19-5-4-6-22(34-2)28(19)36-14-25(32)33)29(13-24(30)31)26(18)16-7-10-21-23(11-16)38-15-37-21/h4-12,26-27H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBTQECKJFWIROQ-KAYWLYCHSA-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