General Information of the Compound
| Compound ID |
CP0476431
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| Compound Name |
6-Methoxy-2-(2-methyl-benzyl)-3,4-dihydro-2H-naphthalen-1-one
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| Structure |
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| Formula |
C19H20O2
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| Molecular Weight |
280.367
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| Canonical SMILES |
COc1ccc2C(=O)C(Cc3ccccc3C)CCc2c1
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| InChI |
InChI=1S/C19H20O2/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17(21-2)9-10-18(15)19(16)20/h3-6,9-10,12,16H,7-8,11H2,1-2H3
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| InChIKey |
OODKBBXINVPVST-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: PT02999, Cytochrome P450 26A1