General Information of the Compound
| Compound ID |
CP0458404
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| Compound Name |
2-(furan-3-yl)-5-[(5-methylpyridin-3-yl)methyl]pyridine
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| Structure |
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| Formula |
C16H14N2O
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| Molecular Weight |
250.301
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| Canonical SMILES |
Cc1cncc(Cc2ccc(nc2)-c2ccoc2)c1
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| InChI |
InChI=1S/C16H14N2O/c1-12-6-14(9-17-8-12)7-13-2-3-16(18-10-13)15-4-5-19-11-15/h2-6,8-11H,7H2,1H3
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| InChIKey |
XVBAAEZLMRHWDY-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