General Information of the Compound
| Compound ID |
CP0435648
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| Compound Name |
2-[(1R,3S)-1-(1,3-benzodioxol-5-yl)-5-ethoxy-3-(4-methoxyphenyl)-1,3-dihydroisoindol-2-yl]acetic acid
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| Structure |
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| Formula |
C26H25NO6
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| Molecular Weight |
447.487
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| Canonical SMILES |
CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H25NO6/c1-3-31-19-9-10-20-21(13-19)25(16-4-7-18(30-2)8-5-16)27(14-24(28)29)26(20)17-6-11-22-23(12-17)33-15-32-22/h4-13,25-26H,3,14-15H2,1-2H3,(H,28,29)/t25-,26+/m0/s1
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| InChIKey |
RAMHCNBQMDDFCA-IZZNHLLZSA-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