General Information of the Compound
| Compound ID |
CP0519494
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| Compound Name |
2-[5-(4-fluoro-3- phenylmethoxyphenyl)-1- methylimidazol-4-yl]-4-(2H- tetrazol-5-yl)pyridine
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| Structure |
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| Formula |
C23H18FN7O
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| Molecular Weight |
427.443
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| Canonical SMILES |
Cn1cnc(c1-c1ccc(F)c(OCc2ccccc2)c1)-c1cc(ccn1)-c1nn[nH]n1
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| InChI |
InChI=1S/C23H18FN7O/c1-31-14-26-21(19-11-17(9-10-25-19)23-27-29-30-28-23)22(31)16-7-8-18(24)20(12-16)32-13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,27,28,29,30)
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| InChIKey |
OFVALDKDZDUPRW-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