General Information of the Compound
| Compound ID |
CP0953937
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| Compound Name |
2-Benzylidene-7-((4-methoxybenzyl)oxy)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C24H20O3
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| Molecular Weight |
356.421
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| Canonical SMILES |
COc1ccc(COc2cccc3c2C(=O)/C(=C/c2ccccc2)C3)cc1
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| InChI |
InChI=1S/C24H20O3/c1-26-21-12-10-18(11-13-21)16-27-22-9-5-8-19-15-20(24(25)23(19)22)14-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3/b20-14+
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| InChIKey |
VGTNLXYNUWQLFI-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