General Information of the Compound
| Compound ID |
CP0548471
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| Compound Name |
2-[1-[2-(2-phenoxyphenyl)ethyl]imidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C24H20N6O
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| Molecular Weight |
408.465
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| Canonical SMILES |
C(Cn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1)c1ccccc1Oc1ccccc1
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| InChI |
InChI=1S/C24H20N6O/c1-2-7-20(8-3-1)31-24-9-5-4-6-18(24)11-13-30-16-23(26-17-30)21-14-19(10-12-25-21)22-15-27-29-28-22/h1-10,12,14-17H,11,13H2,(H,27,28,29)
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| InChIKey |
BQEFHNXDQSRGAO-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: PT02548, Histone lysine demethylase PHF8
Protein ID: PT03776, Lysine-specific demethylase 2B