General Information of the Compound
| Compound ID |
CP0461639
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| Compound Name |
5-[4-(4-acetyl-3-hydroxy-2-methylphenoxy)butoxy]-2-fluorobenzoic acid
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| Structure |
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| Formula |
C20H21FO6
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| Molecular Weight |
376.38
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| Canonical SMILES |
CC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
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| InChI |
InChI=1S/C20H21FO6/c1-12-18(8-6-15(13(2)22)19(12)23)27-10-4-3-9-26-14-5-7-17(21)16(11-14)20(24)25/h5-8,11,23H,3-4,9-10H2,1-2H3,(H,24,25)
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| InChIKey |
DVMQMYPMDYFXOM-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