General Information of the Compound
| Compound ID |
CP0502972
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| Compound Name |
2-(4-Hydroxy-benzyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
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| Structure |
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| Formula |
C18H18O3
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| Molecular Weight |
282.339
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| Canonical SMILES |
COc1ccc2C(=O)C(Cc3ccc(O)cc3)CCc2c1
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| InChI |
InChI=1S/C18H18O3/c1-21-16-8-9-17-13(11-16)4-5-14(18(17)20)10-12-2-6-15(19)7-3-12/h2-3,6-9,11,14,19H,4-5,10H2,1H3
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| InChIKey |
QXKFHJXUOCOYOF-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