General Information of the Compound
| Compound ID |
CP0445661
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| Compound Name |
2-[5-[[4-fluoro-2-(1- phenylethoxy)phenyl]methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C24H20FN3O4
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| Molecular Weight |
433.439
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| Canonical SMILES |
CC(Oc1cc(F)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O)c1ccccc1
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| InChI |
InChI=1S/C24H20FN3O4/c1-16(17-5-3-2-4-6-17)32-21-14-20(25)8-7-19(21)15-31-23-10-12-27-28(23)22-13-18(24(29)30)9-11-26-22/h2-14,16H,15H2,1H3,(H,29,30)
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| InChIKey |
UQZWANPYQUOQKJ-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