General Information of the Compound
| Compound ID |
CP0429221
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| Compound Name |
3-[2-fluoro-4-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C19H19FO6
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| Molecular Weight |
362.353
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| Canonical SMILES |
COc1ccc2OCC(COc3ccc(CCC(O)=O)c(F)c3)Oc2c1
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| InChI |
InChI=1S/C19H19FO6/c1-23-13-5-6-17-18(9-13)26-15(11-25-17)10-24-14-4-2-12(16(20)8-14)3-7-19(21)22/h2,4-6,8-9,15H,3,7,10-11H2,1H3,(H,21,22)
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| InChIKey |
QOXZMLZKTCPDMQ-UHFFFAOYSA-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