General Information of the Compound
| Compound ID |
CP0054641
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| Compound Name |
5,7-dichloro-3-(4-chlorobenzyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C16H9Cl3O2
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| Molecular Weight |
339.605
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| Canonical SMILES |
Clc1ccc(Cc2coc3cc(Cl)cc(Cl)c3c2=O)cc1
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| InChI |
InChI=1S/C16H9Cl3O2/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-8H,5H2
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| InChIKey |
ZFWVWKKUBBXGLT-UHFFFAOYSA-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