General Information of the Compound
| Compound ID |
CP0458102
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| Compound Name |
2-[5-(2-butoxy-4-fluorophenyl)-1- methylimidazol-4-yl]-4-(2H- tetrazol-5-yl)pyridine
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| Structure |
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| Formula |
C20H20FN7O
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| Molecular Weight |
393.426
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| Canonical SMILES |
CCCCOc1cc(F)ccc1-c1c(ncn1C)-c1cc(ccn1)-c1nn[nH]n1
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| InChI |
InChI=1S/C20H20FN7O/c1-3-4-9-29-17-11-14(21)5-6-15(17)19-18(23-12-28(19)2)16-10-13(7-8-22-16)20-24-26-27-25-20/h5-8,10-12H,3-4,9H2,1-2H3,(H,24,25,26,27)
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| InChIKey |
HWLLTDBRLRZLGC-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: PT03776, Lysine-specific demethylase 2B
Protein ID: PT02979, Lysine-specific demethylase 4C