General Information of the Compound
| Compound ID |
CP0531905
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| Compound Name |
3-(3,4-Dihydroxy-phenyl)-1-(3-dimethylamino-phenyl)-propenone
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| Structure |
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| Formula |
C17H17NO3
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| Molecular Weight |
283.327
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| Canonical SMILES |
CN(C)c1cccc(c1)C(=O)\C=C\c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C17H17NO3/c1-18(2)14-5-3-4-13(11-14)15(19)8-6-12-7-9-16(20)17(21)10-12/h3-11,20-21H,1-2H3/b8-6+
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| InChIKey |
NKFXJPZLZAATIU-SOFGYWHQSA-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