General Information of the Compound
| Compound ID |
CP0483604
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[(1S,3R)-3-(1,3-benzodioxol-5-yl)-6-ethoxy-2-(2H-tetrazol-5-yl)-1,3-dihydroisoindol-1-yl]-5-methoxyphenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25N5O7
|
||||||||||||||||||
| Molecular Weight |
531.525
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc2[C@H](N([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1nnn[nH]1)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25N5O7/c1-3-36-17-6-7-18-20(11-17)26(19-8-5-16(35-2)12-22(19)37-13-24(33)34)32(27-28-30-31-29-27)25(18)15-4-9-21-23(10-15)39-14-38-21/h4-12,25-26H,3,13-14H2,1-2H3,(H,33,34)(H,28,29,30,31)/t25-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSIBVUPCSKPMMH-CLJLJLNGSA-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