General Information of the Compound
| Compound ID |
CP0549598
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| Compound Name |
(E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)but-2-en-1-one
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| Structure |
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| Formula |
C17H15ClO3
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| Molecular Weight |
302.757
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| Canonical SMILES |
COc1cc(ccc1O)C(\C)=C\C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H15ClO3/c1-11(13-5-8-15(19)17(10-13)21-2)9-16(20)12-3-6-14(18)7-4-12/h3-10,19H,1-2H3/b11-9+
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| InChIKey |
KXJSBHASERHFQW-PKNBQFBNSA-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