General Information of the Compound
| Compound ID |
CP0536157
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| Compound Name |
2-(5-(2,4-difluorophenyl)-1H- pyrazol-1-yl)isonicotinic acid
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| Structure |
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| Formula |
C15H9F2N3O2
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| Molecular Weight |
301.252
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1-c1ccc(F)cc1F
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| InChI |
InChI=1S/C15H9F2N3O2/c16-10-1-2-11(12(17)8-10)13-4-6-19-20(13)14-7-9(15(21)22)3-5-18-14/h1-8H,(H,21,22)
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| InChIKey |
WTMJZFIQFSYVHA-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