General Information of the Compound
| Compound ID |
CP0543961
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| Compound Name |
4-[6-(2,3-Dihydroxy-phenyl)-hexyloxy]-2-hydroxy-3-propyl-benzoic acid
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| Structure |
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| Formula |
C22H28O6
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| Molecular Weight |
388.46
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| Canonical SMILES |
CCCc1c(O)c(ccc1OCCCCCCc1cccc(O)c1O)C(O)=O
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| InChI |
InChI=1S/C22H28O6/c1-2-8-16-19(13-12-17(21(16)25)22(26)27)28-14-6-4-3-5-9-15-10-7-11-18(23)20(15)24/h7,10-13,23-25H,2-6,8-9,14H2,1H3,(H,26,27)
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| InChIKey |
MQSAORRAHSHSTR-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