General Information of the Compound
| Compound ID |
CP0513300
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| Compound Name |
2-[5-[[4-chloro-2-(2- methylpropoxy)phenyl]methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C20H20ClN3O4
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| Molecular Weight |
401.85
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| Canonical SMILES |
CC(C)COc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C20H20ClN3O4/c1-13(2)11-27-17-10-16(21)4-3-15(17)12-28-19-6-8-23-24(19)18-9-14(20(25)26)5-7-22-18/h3-10,13H,11-12H2,1-2H3,(H,25,26)
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| InChIKey |
UDNZKYWBVTTWJF-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