General Information of the Compound
| Compound ID |
CP0392139
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| Compound Name |
2-{5-[(3-fluorobenzyl)oxy]-1H- pyrazol-1-yl}pyridine-4- carboxylic acid
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| Structure |
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| Formula |
C16H12FN3O3
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| Molecular Weight |
313.288
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1OCc1cccc(F)c1
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| InChI |
InChI=1S/C16H12FN3O3/c17-13-3-1-2-11(8-13)10-23-15-5-7-19-20(15)14-9-12(16(21)22)4-6-18-14/h1-9H,10H2,(H,21,22)
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| InChIKey |
RVWFSGMSJSTAIJ-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: PT02979, Lysine-specific demethylase 4C
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B