General Information of the Compound
| Compound ID |
CP0492837
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| Compound Name |
4-[6-(2,3-Dihydroxy-phenyl)-hexyloxy]-benzoic acid
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| Structure |
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| Formula |
C19H22O5
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| Molecular Weight |
330.38
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| Canonical SMILES |
OC(=O)c1ccc(OCCCCCCc2cccc(O)c2O)cc1
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| InChI |
InChI=1S/C19H22O5/c20-17-8-5-7-14(18(17)21)6-3-1-2-4-13-24-16-11-9-15(10-12-16)19(22)23/h5,7-12,20-21H,1-4,6,13H2,(H,22,23)
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| InChIKey |
DAJNLGKWDNHNCU-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