General Information of the Compound
| Compound ID |
CP0476902
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| Compound Name |
2-[5-[(4-cyano-2- methylphenyl)methoxy]pyrazol-1- yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C18H14N4O3
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| Molecular Weight |
334.335
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| Canonical SMILES |
Cc1cc(ccc1COc1ccnn1-c1cc(ccn1)C(O)=O)C#N
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| InChI |
InChI=1S/C18H14N4O3/c1-12-8-13(10-19)2-3-15(12)11-25-17-5-7-21-22(17)16-9-14(18(23)24)4-6-20-16/h2-9H,11H2,1H3,(H,23,24)
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| InChIKey |
HWBFUMCZKFJIFB-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