General Information of the Compound
| Compound ID |
CP0407814
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| Compound Name |
2-[(1R,3R)-1-(1,3-benzodioxol-5-yl)-5-ethoxy-3-(3,4,5-trimethoxyphenyl)-1,3-dihydroisoindol-2-yl]acetic acid
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| Structure |
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| Formula |
C28H29NO8
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| Molecular Weight |
507.539
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| Canonical SMILES |
CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H29NO8/c1-5-35-18-7-8-19-20(13-18)27(17-11-23(32-2)28(34-4)24(12-17)33-3)29(14-25(30)31)26(19)16-6-9-21-22(10-16)37-15-36-21/h6-13,26-27H,5,14-15H2,1-4H3,(H,30,31)/t26-,27-/m1/s1
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| InChIKey |
JBMMQCZBDFDLEC-KAYWLYCHSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound