General Information of the Compound
| Compound ID |
CP0411547
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| Compound Name |
2-[5-[[4-fluoro-2-[(4- fluorophenyl)methoxy]phenyl] methoxy]pyrazol-1-yl]pyridine- 4-carboxylic acid
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| Structure |
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| Formula |
C23H17F2N3O4
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| Molecular Weight |
437.402
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(F)cc1OCc1ccc(F)cc1
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| InChI |
InChI=1S/C23H17F2N3O4/c24-18-4-1-15(2-5-18)13-31-20-12-19(25)6-3-17(20)14-32-22-8-10-27-28(22)21-11-16(23(29)30)7-9-26-21/h1-12H,13-14H2,(H,29,30)
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| InChIKey |
YMWREFXLGWZZOR-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