General Information of the Compound
| Compound ID |
CP0906442
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| Compound Name |
4-(5-(Pyridin-4-yl)-7,8-dihydronaphthalen-2-yl)benzene-1,2-diol Hydrobromidebr
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| Structure |
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| Formula |
C21H18BrNO2
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| Molecular Weight |
396.284
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| Canonical SMILES |
Br.Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1O
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| InChI |
InChI=1S/C21H17NO2.BrH/c23-20-7-5-16(13-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-22-11-9-14;/h3-13,23-24H,1-2H2;1H
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| InChIKey |
JMBWJWVAQBXXJN-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