General Information of the Compound
| Compound ID |
CP0873079
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| Compound Name |
2-(4-Chlorobenzylidene)-7-((4-methoxybenzyl)oxy)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C24H19ClO3
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| Molecular Weight |
390.866
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| Canonical SMILES |
COc1ccc(COc2cccc3c2C(=O)/C(=C/c2ccc(Cl)cc2)C3)cc1
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| InChI |
InChI=1S/C24H19ClO3/c1-27-21-11-7-17(8-12-21)15-28-22-4-2-3-18-14-19(24(26)23(18)22)13-16-5-9-20(25)10-6-16/h2-13H,14-15H2,1H3/b19-13+
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| InChIKey |
DEMOQIYHJQDPQY-CPNJWEJPSA-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