General Information of the Compound
| Compound ID |
CP0458221
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| Compound Name |
2-[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-4-yl]-4-(1H-triazol-4-yl)pyridine
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| Structure |
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| Formula |
C17H12ClFN6
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| Molecular Weight |
354.776
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| Canonical SMILES |
Fc1c(Cl)cccc1Cn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1
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| InChI |
InChI=1S/C17H12ClFN6/c18-13-3-1-2-12(17(13)19)8-25-9-16(21-10-25)14-6-11(4-5-20-14)15-7-22-24-23-15/h1-7,9-10H,8H2,(H,22,23,24)
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| InChIKey |
INWJOKORMBHXJB-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