General Information of the Compound
| Compound ID |
CP0389850
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| Compound Name |
(E)-3-(2-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C17H15ClO4
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| Molecular Weight |
318.756
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| Canonical SMILES |
COc1cc(O)c(C(=O)\C=C\c2ccccc2Cl)c(OC)c1
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| InChI |
InChI=1S/C17H15ClO4/c1-21-12-9-15(20)17(16(10-12)22-2)14(19)8-7-11-5-3-4-6-13(11)18/h3-10,20H,1-2H3/b8-7+
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| InChIKey |
YZXFAXZRQRCABV-BQYQJAHWSA-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