General Information of the Compound
| Compound ID |
CP0431970
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| Compound Name |
6-benzyloxy-1-oxo-3-phenyl-1H-indene-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C25H20O4
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| Molecular Weight |
384.431
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccc(OCc3ccccc3)cc2C1=O)c1ccccc1
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| InChI |
InChI=1S/C25H20O4/c1-2-28-25(27)23-22(18-11-7-4-8-12-18)20-14-13-19(15-21(20)24(23)26)29-16-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3
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| InChIKey |
YMMDDMVGFSDVEV-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