General Information of the Compound
| Compound ID |
CP0432315
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| Compound Name |
4-[3-(2,3-Dihydroxy-phenyl)-propoxy]-2-hydroxy-3-propyl-benzoic acid
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| Structure |
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| Formula |
C19H22O6
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| Molecular Weight |
346.379
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| Canonical SMILES |
CCCc1c(O)c(ccc1OCCCc1cccc(O)c1O)C(O)=O
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| InChI |
InChI=1S/C19H22O6/c1-2-5-13-16(10-9-14(18(13)22)19(23)24)25-11-4-7-12-6-3-8-15(20)17(12)21/h3,6,8-10,20-22H,2,4-5,7,11H2,1H3,(H,23,24)
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| InChIKey |
APWNLLKWQUOJIB-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