General Information of the Compound
| Compound ID |
CP0530627
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| Compound Name |
2-[1-[(3- fluorophenyl)methyl]imidazol-4- yl]pyridine-4-carboxylic
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| Structure |
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| Formula |
C16H12FN3O2
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| Molecular Weight |
297.289
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1cn(Cc2cccc(F)c2)cn1
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| InChI |
InChI=1S/C16H12FN3O2/c17-13-3-1-2-11(6-13)8-20-9-15(19-10-20)14-7-12(16(21)22)4-5-18-14/h1-7,9-10H,8H2,(H,21,22)
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| InChIKey |
ZJSZJNLCAOPVEJ-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