General Information of the Compound
| Compound ID |
CP0080562
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| Compound Name |
2-[4-ethyl-5-[(4- fluorophenyl)methoxy]pyrazol-1- yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C18H16FN3O3
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| Molecular Weight |
341.342
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| Canonical SMILES |
CCc1cnn(c1OCc1ccc(F)cc1)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C18H16FN3O3/c1-2-13-10-21-22(16-9-14(18(23)24)7-8-20-16)17(13)25-11-12-3-5-15(19)6-4-12/h3-10H,2,11H2,1H3,(H,23,24)
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| InChIKey |
QZXMTFZQLZHLTN-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