General Information of the Compound
| Compound ID |
CP0542343
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| Compound Name |
3-[4-[[(3R)-6-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2-fluorophenyl]propanoic acid
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| Structure |
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| Formula |
C24H20ClFO5
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| Molecular Weight |
442.87
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| Canonical SMILES |
OC(=O)CCc1ccc(OC[C@@H]2COc3ccc(cc3O2)-c2ccc(Cl)cc2)cc1F
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| InChI |
InChI=1S/C24H20ClFO5/c25-18-6-1-15(2-7-18)17-4-9-22-23(11-17)31-20(14-30-22)13-29-19-8-3-16(21(26)12-19)5-10-24(27)28/h1-4,6-9,11-12,20H,5,10,13-14H2,(H,27,28)/t20-/m1/s1
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| InChIKey |
XRMBFDKQBSYKPC-HXUWFJFHSA-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