General Information of the Compound
| Compound ID |
CP0394155
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| Compound Name |
1-oxo-6-phenethyloxy-3-phenyl-1H-indene-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C26H22O4
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| Molecular Weight |
398.458
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccc(OCCc3ccccc3)cc2C1=O)c1ccccc1
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| InChI |
InChI=1S/C26H22O4/c1-2-29-26(28)24-23(19-11-7-4-8-12-19)21-14-13-20(17-22(21)25(24)27)30-16-15-18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3
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| InChIKey |
JXLRDAJVMMBPAI-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