General Information of the Compound
| Compound ID |
CP0458220
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| Compound Name |
2-[1-[2-(2-phenylmethoxyphenyl)ethyl]imidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C25H22N6O
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| Molecular Weight |
422.492
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| Canonical SMILES |
C(Cn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1)c1ccccc1OCc1ccccc1
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| InChI |
InChI=1S/C25H22N6O/c1-2-6-19(7-3-1)17-32-25-9-5-4-8-20(25)11-13-31-16-24(27-18-31)22-14-21(10-12-26-22)23-15-28-30-29-23/h1-10,12,14-16,18H,11,13,17H2,(H,28,29,30)
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| InChIKey |
IKZSNMQGJATBAZ-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