General Information of the Compound
| Compound ID |
CP0457634
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| Compound Name |
2-fluoro-5-[3-methyl-5-[4-(2H- tetrazol-5-yl)pyridin-2- yl]imidazol-4-yl]-N- phenylbenzamide
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| Structure |
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| Formula |
C23H17FN8O
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| Molecular Weight |
440.442
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| Canonical SMILES |
Cn1cnc(c1-c1ccc(F)c(c1)C(=O)Nc1ccccc1)-c1cc(ccn1)-c1nn[nH]n1
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| InChI |
InChI=1S/C23H17FN8O/c1-32-13-26-20(19-12-15(9-10-25-19)22-28-30-31-29-22)21(32)14-7-8-18(24)17(11-14)23(33)27-16-5-3-2-4-6-16/h2-13H,1H3,(H,27,33)(H,28,29,30,31)
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| InChIKey |
JUOZTTXGXKVWCW-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