General Information of the Compound
| Compound ID |
CP0850998
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| Compound Name |
4-(6-(4-Fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)pyridine Hydrochloride
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| Structure |
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| Formula |
C21H19ClFN
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| Molecular Weight |
339.841
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| Canonical SMILES |
Cl.Fc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1
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| InChI |
InChI=1S/C21H18FN.ClH/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16;/h4-14,20H,1-3H2;1H
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| InChIKey |
NBDGMNQECKEFTB-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