General Information of the Compound
| Compound ID |
CP0457587
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| Compound Name |
(E)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C16H13ClO2
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| Molecular Weight |
272.731
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| Canonical SMILES |
COc1cccc(\C=C\C(=O)c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C16H13ClO2/c1-19-15-4-2-3-12(11-15)5-10-16(18)13-6-8-14(17)9-7-13/h2-11H,1H3/b10-5+
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| InChIKey |
WOIWMJZWHCQKEE-BJMVGYQFSA-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