General Information of the Compound
| Compound ID |
CP0431839
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| Compound Name |
(3S)-3-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C20H22O4
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| Molecular Weight |
326.392
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| Canonical SMILES |
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3ccccc23)cc1
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| InChI |
InChI=1S/C20H22O4/c1-2-23-19(13-20(21)22)15-7-10-16(11-8-15)24-18-12-9-14-5-3-4-6-17(14)18/h3-8,10-11,18-19H,2,9,12-13H2,1H3,(H,21,22)/t18-,19+/m1/s1
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| InChIKey |
PEOQQGFVMCJWNI-MOPGFXCFSA-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