General Information of the Compound
| Compound ID |
CP0484559
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| Compound Name |
(3S)-3-ethoxy-3-[4-[[(1R)-4-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C22H26O4
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| Molecular Weight |
354.446
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| Canonical SMILES |
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3CC)cc1
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| InChI |
InChI=1S/C22H26O4/c1-3-15-6-5-7-19-18(15)12-13-20(19)26-17-10-8-16(9-11-17)21(25-4-2)14-22(23)24/h5-11,20-21H,3-4,12-14H2,1-2H3,(H,23,24)/t20-,21+/m1/s1
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| InChIKey |
PELKJHCCZNGDQR-RTWAWAEBSA-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