General Information of the Compound
| Compound ID |
CP0408166
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| Compound Name |
(6-methoxy-1-oxo-3-phenyl-1H-inden-2-yl)acetic acid ethyl ester
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| Structure |
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| Formula |
C20H18O4
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| Molecular Weight |
322.36
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| Canonical SMILES |
CCOC(=O)CC1=C(c2ccc(OC)cc2C1=O)c1ccccc1
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| InChI |
InChI=1S/C20H18O4/c1-3-24-18(21)12-17-19(13-7-5-4-6-8-13)15-10-9-14(23-2)11-16(15)20(17)22/h4-11H,3,12H2,1-2H3
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| InChIKey |
PNKYVTUJAHEYNV-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