General Information of the Compound
| Compound ID |
CP0419103
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| Compound Name |
6-(5-Methoxypyridin-3-yl)-3,4-dihydronaphthalen-2(1H)-one
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| Structure |
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| Formula |
C16H15NO2
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| Molecular Weight |
253.301
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| Canonical SMILES |
COc1cncc(c1)-c1ccc2CC(=O)CCc2c1
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| InChI |
InChI=1S/C16H15NO2/c1-19-16-8-14(9-17-10-16)12-2-3-13-7-15(18)5-4-11(13)6-12/h2-3,6,8-10H,4-5,7H2,1H3
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| InChIKey |
VMXXQQUNEIDJSC-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial