General Information of the Compound
| Compound ID |
CP0467417
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| Compound Name |
2-(2-Ethylbenzyl)-6-methoxy-tetralone
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| Structure |
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| Formula |
C20H22O2
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| Molecular Weight |
294.394
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| Canonical SMILES |
CCc1ccccc1CC1CCc2cc(OC)ccc2C1=O
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| InChI |
InChI=1S/C20H22O2/c1-3-14-6-4-5-7-15(14)12-17-9-8-16-13-18(22-2)10-11-19(16)20(17)21/h4-7,10-11,13,17H,3,8-9,12H2,1-2H3
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| InChIKey |
KIPPVJIXXVROQE-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
Protein ID: PT03062, 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
Protein ID: PT05883, Sterol 26-hydroxylase, mitochondrial