General Information of the Compound
| Compound ID |
CP0864774
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| Compound Name |
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C20H18N6O
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| Molecular Weight |
358.405
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| Canonical SMILES |
c1ccc2c(c1)OCCC2Cn1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1
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| InChI |
InChI=1S/C20H18N6O/c1-2-4-20-16(3-1)15(6-8-27-20)11-26-12-19(22-13-26)17-9-14(5-7-21-17)18-10-23-25-24-18/h1-5,7,9-10,12-13,15H,6,8,11H2,(H,23,24,25)
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| InChIKey |
XLKANUGVGKJAFP-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