General Information of the Compound
| Compound ID |
CP0859546
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| Compound Name |
2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C21H20N6
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| Molecular Weight |
356.433
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| Canonical SMILES |
c1ccc2c(c1)CCCC2Cn1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1
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| InChI |
InChI=1S/C21H20N6/c1-2-7-18-15(4-1)5-3-6-17(18)12-27-13-21(23-14-27)19-10-16(8-9-22-19)20-11-24-26-25-20/h1-2,4,7-11,13-14,17H,3,5-6,12H2,(H,24,25,26)
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| InChIKey |
IBTSPUCLPNQGKI-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