General Information of the Compound
| Compound ID |
CP0559146
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| Compound Name |
2-[5-[(2,2-dimethyl-3H-1- benzofuran-7-yl)methoxy]pyrazol- 1-yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C20H19N3O4
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| Molecular Weight |
365.389
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| Canonical SMILES |
CC1(C)Cc2cccc(COc3ccnn3-c3cc(ccn3)C(O)=O)c2O1
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| InChI |
InChI=1S/C20H19N3O4/c1-20(2)11-14-4-3-5-15(18(14)27-20)12-26-17-7-9-22-23(17)16-10-13(19(24)25)6-8-21-16/h3-10H,11-12H2,1-2H3,(H,24,25)
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| InChIKey |
XUYSGGCAQKHJKY-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