General Information of the Compound
| Compound ID |
CP0953922
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| Compound Name |
7-((4-Methoxybenzyl)oxy)-2-(4-methylbenzylidene)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C25H22O3
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| Molecular Weight |
370.448
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| Canonical SMILES |
COc1ccc(COc2cccc3c2C(=O)/C(=C/c2ccc(C)cc2)C3)cc1
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| InChI |
InChI=1S/C25H22O3/c1-17-6-8-18(9-7-17)14-21-15-20-4-3-5-23(24(20)25(21)26)28-16-19-10-12-22(27-2)13-11-19/h3-14H,15-16H2,1-2H3/b21-14+
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| InChIKey |
ULKGHOPPBOGSDP-KGENOOAVSA-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