General Information of the Compound
| Compound ID |
CP0905376
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| Compound Name |
2-[5-(4-chloro-3-phenylmethoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carbonitrile
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| Structure |
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| Formula |
C23H17ClN4O
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| Molecular Weight |
400.869
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| Canonical SMILES |
Cn1cnc(-c2cc(C#N)ccn2)c1-c1ccc(Cl)c(OCc2ccccc2)c1
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| InChI |
InChI=1S/C23H17ClN4O/c1-28-15-27-22(20-11-17(13-25)9-10-26-20)23(28)18-7-8-19(24)21(12-18)29-14-16-5-3-2-4-6-16/h2-12,15H,14H2,1H3
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| InChIKey |
MYEKGNIACAPRJV-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