General Information of the Compound
| Compound ID |
CP0957135
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| Compound Name |
7-((4-Methoxybenzyl)oxy)-2-(4-methoxybenzylidene)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C25H22O4
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| Molecular Weight |
386.447
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| Canonical SMILES |
COc1ccc(/C=C2\Cc3cccc(OCc4ccc(OC)cc4)c3C2=O)cc1
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| InChI |
InChI=1S/C25H22O4/c1-27-21-10-6-17(7-11-21)14-20-15-19-4-3-5-23(24(19)25(20)26)29-16-18-8-12-22(28-2)13-9-18/h3-14H,15-16H2,1-2H3/b20-14+
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| InChIKey |
PJQZAXPSWXOQCB-XSFVSMFZSA-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