General Information of the Compound
| Compound ID |
CP0427441
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| Compound Name |
2-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
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| Structure |
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| Formula |
C18H15BrO2
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| Molecular Weight |
343.22
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| Canonical SMILES |
COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1Br
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| InChI |
InChI=1S/C18H15BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-11H,6-7H2,1H3/b14-10+
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| InChIKey |
ZHOQTMYSBFYMPC-GXDHUFHOSA-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: PT02999, Cytochrome P450 26A1
Protein ID: PT05883, Sterol 26-hydroxylase, mitochondrial