General Information of the Compound
| Compound ID |
CP0421362
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1S,3R)-1-[2-(carboxymethoxy)-4-methoxyphenyl]-3-(4-methoxyphenyl)-5-propoxy-1,3-dihydroisoindol-2-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31NO8
|
||||||||||||||||||
| Molecular Weight |
521.566
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc(OC)cc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31NO8/c1-4-13-37-21-10-11-22-24(14-21)28(18-5-7-19(35-2)8-6-18)30(16-26(31)32)29(22)23-12-9-20(36-3)15-25(23)38-17-27(33)34/h5-12,14-15,28-29H,4,13,16-17H2,1-3H3,(H,31,32)(H,33,34)/t28-,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOLXOYFHGNIFKF-WDYNHAJCSA-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