General Information of the Compound
| Compound ID |
CP0388788
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| Compound Name |
(3S)-3-[4-[[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C20H21ClO4
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| Molecular Weight |
360.837
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| Canonical SMILES |
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3Cl)cc1
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| InChI |
InChI=1S/C20H21ClO4/c1-2-24-19(12-20(22)23)13-6-8-14(9-7-13)25-18-11-10-15-16(18)4-3-5-17(15)21/h3-9,18-19H,2,10-12H2,1H3,(H,22,23)/t18-,19+/m1/s1
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| InChIKey |
LBEMWDJQHIXCQV-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