General Information of the Compound
| Compound ID |
CP0394615
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| Compound Name |
1-(4-Chloro-phenyl)-3-(3,4-dihydroxy-phenyl)-propenone
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| Structure |
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| Formula |
C15H11ClO3
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| Molecular Weight |
274.703
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| Canonical SMILES |
Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1O
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| InChI |
InChI=1S/C15H11ClO3/c16-12-5-3-11(4-6-12)13(17)7-1-10-2-8-14(18)15(19)9-10/h1-9,18-19H/b7-1+
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| InChIKey |
NPDXBNMNUDCDHM-LREOWRDNSA-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
Protein ID: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT05494, Stromal cell-derived factor 1