General Information of the Compound
| Compound ID |
CP0482555
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| Compound Name |
(E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C16H11ClO4
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| Molecular Weight |
302.713
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| Canonical SMILES |
Oc1ccc(Cl)cc1C(=O)\C=C\c1ccc2OCOc2c1
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| InChI |
InChI=1S/C16H11ClO4/c17-11-3-5-14(19)12(8-11)13(18)4-1-10-2-6-15-16(7-10)21-9-20-15/h1-8,19H,9H2/b4-1+
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| InChIKey |
YPGXNIHFYIFXQL-DAFODLJHSA-N
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| CAS |
28328-71-4
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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