General Information of the Compound
| Compound ID |
CP0483806
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| Compound Name |
3-(3,4-Dihydroxy-phenyl)-1-(5-isopropoxy-2-methoxy-phenyl)-propenone
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| Structure |
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| Formula |
C19H20O5
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| Molecular Weight |
328.364
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| Canonical SMILES |
COc1ccc(OC(C)C)cc1C(=O)\C=C\c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C19H20O5/c1-12(2)24-14-6-9-19(23-3)15(11-14)16(20)7-4-13-5-8-17(21)18(22)10-13/h4-12,21-22H,1-3H3/b7-4+
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| InChIKey |
IPRFNLJZHHMLQI-QPJJXVBHSA-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