General Information of the Compound
| Compound ID |
CP0471508
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| Compound Name |
2-[1-[[2-chloro-3- (trifluoromethyl)phenyl]methyl]- imidazol-4-yl]-4-(2H-tetrazol-5- yl)pyridine
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| Structure |
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| Formula |
C17H11ClF3N7
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| Molecular Weight |
405.771
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| Canonical SMILES |
FC(F)(F)c1cccc(Cn2cnc(c2)-c2cc(ccn2)-c2nn[nH]n2)c1Cl
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| InChI |
InChI=1S/C17H11ClF3N7/c18-15-11(2-1-3-12(15)17(19,20)21)7-28-8-14(23-9-28)13-6-10(4-5-22-13)16-24-26-27-25-16/h1-6,8-9H,7H2,(H,24,25,26,27)
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| InChIKey |
IWXQPCTUWUKXSM-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: PT03776, Lysine-specific demethylase 2B
Protein ID: PT02979, Lysine-specific demethylase 4C
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B