General Information of the Compound
| Compound ID |
CP0441265
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| Compound Name |
(E)-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-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 |
COc1ccc(cc1OC)C(=O)\C=C\c1ccccc1Cl
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| InChI |
InChI=1S/C17H15ClO3/c1-20-16-10-8-13(11-17(16)21-2)15(19)9-7-12-5-3-4-6-14(12)18/h3-11H,1-2H3/b9-7+
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| InChIKey |
MWDJSQKNDLOBLB-VQHVLOKHSA-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