General Information of the Compound
| Compound ID |
CP0492843
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| Compound Name |
2-[(1R,3R)-1-(1,3-benzodioxol-5-yl)-5-ethoxy-3-(2-hydroxy-4-methoxyphenyl)-1,3-dihydroisoindol-2-yl]acetic acid
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| Structure |
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| Formula |
C26H25NO7
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| Molecular Weight |
463.486
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| Canonical SMILES |
CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H25NO7/c1-3-32-17-6-7-18-20(11-17)26(19-8-5-16(31-2)12-21(19)28)27(13-24(29)30)25(18)15-4-9-22-23(10-15)34-14-33-22/h4-12,25-26,28H,3,13-14H2,1-2H3,(H,29,30)/t25-,26+/m1/s1
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| InChIKey |
LDZGAMNZMSXJDP-FTJBHMTQSA-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