General Information of the Compound
| Compound ID |
CP0893597
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| Compound Name |
4-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]pyridin-4-y]]-1H-triazole-5-carbonitrile
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| Structure |
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| Formula |
C19H13Cl2N7
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| Molecular Weight |
410.268
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| Canonical SMILES |
N#Cc1[nH]nnc1-c1ccnc(-c2cn(CCc3cccc(Cl)c3Cl)cn2)c1
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| InChI |
InChI=1S/C19H13Cl2N7/c20-14-3-1-2-12(18(14)21)5-7-28-10-17(24-11-28)15-8-13(4-6-23-15)19-16(9-22)25-27-26-19/h1-4,6,8,10-11H,5,7H2,(H,25,26,27)
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| InChIKey |
AOVXRFDIOGMUSA-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