General Information of the Compound
| Compound ID |
CP0499662
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| Compound Name |
(E)-1-(3-bromophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C16H13BrO3
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| Molecular Weight |
333.181
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1O
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| InChI |
InChI=1S/C16H13BrO3/c1-20-16-8-6-11(9-15(16)19)5-7-14(18)12-3-2-4-13(17)10-12/h2-10,19H,1H3/b7-5+
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| InChIKey |
NDMIUEXMLAKNRS-FNORWQNLSA-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