General Information of the Compound
| Compound ID |
CP0084929
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| Compound Name |
1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-dione
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| Structure |
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| Formula |
C21H24O6
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| Molecular Weight |
372.417
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| Canonical SMILES |
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O
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| InChI |
InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
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| InChIKey |
LBTVHXHERHESKG-UHFFFAOYSA-N
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| CAS |
36062-04-1
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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