General Information of the Compound
| Compound ID |
CP0511901
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| Compound Name |
3-(3,4-Dihydroxy-phenyl)-1-(4-isopropoxy-phenyl)-propenone
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| Structure |
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| Formula |
C18H18O4
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| Molecular Weight |
298.338
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| Canonical SMILES |
CC(C)Oc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C18H18O4/c1-12(2)22-15-7-5-14(6-8-15)16(19)9-3-13-4-10-17(20)18(21)11-13/h3-12,20-21H,1-2H3/b9-3+
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| InChIKey |
HDOMQIFKMBGCMT-YCRREMRBSA-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