General Information of the Compound
| Compound ID |
CP0948434
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| Compound Name |
2-[1-(1-phenylethyl)imidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C18H16N6
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| Molecular Weight |
316.368
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| Canonical SMILES |
CC(c1ccccc1)n1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1
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| InChI |
InChI=1S/C18H16N6/c1-13(14-5-3-2-4-6-14)24-11-18(20-12-24)16-9-15(7-8-19-16)17-10-21-23-22-17/h2-13H,1H3,(H,21,22,23)
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| InChIKey |
TYWLTGPEEXPZAQ-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: PT02237, Lysine-specific demethylase 2A
Protein ID: PT03776, Lysine-specific demethylase 2B