General Information of the Compound
| Compound ID |
CP0456707
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| Compound Name |
3-(3,4-Dihydroxy-phenyl)-1-(2,4-dimethoxy-phenyl)-propenone
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| Structure |
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| Formula |
C17H16O5
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| Molecular Weight |
300.31
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| Canonical SMILES |
COc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(OC)c1
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| InChI |
InChI=1S/C17H16O5/c1-21-12-5-6-13(17(10-12)22-2)14(18)7-3-11-4-8-15(19)16(20)9-11/h3-10,19-20H,1-2H3/b7-3+
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| InChIKey |
XEFNHJDWTZIITP-XVNBXDOJSA-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