General Information of the Compound
| Compound ID |
CP0405251
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| Compound Name |
2-{5-[(4,4- difluorocyclohexyl)methoxy]-1H- pyrazol-1-yl}pyridine-4- carboxylic acid
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| Structure |
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| Formula |
C16H17F2N3O3
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| Molecular Weight |
337.326
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1OCC1CCC(F)(F)CC1
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| InChI |
InChI=1S/C16H17F2N3O3/c17-16(18)5-1-11(2-6-16)10-24-14-4-8-20-21(14)13-9-12(15(22)23)3-7-19-13/h3-4,7-9,11H,1-2,5-6,10H2,(H,22,23)
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| InChIKey |
MBWGIVXATSPGAT-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