General Information of the Compound
| Compound ID |
CP0473806
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| Compound Name |
2-[5-[2-(cyclopropylmethoxy)- 4,5-difluorophenyl]-1- methylimidazol-4-yl]pyridine-4- carboxylic acid
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| Structure |
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| Formula |
C20H17F2N3O3
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| Molecular Weight |
385.37
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| Canonical SMILES |
Cn1cnc(c1-c1cc(F)c(F)cc1OCC1CC1)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C20H17F2N3O3/c1-25-10-24-18(16-6-12(20(26)27)4-5-23-16)19(25)13-7-14(21)15(22)8-17(13)28-9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,26,27)
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| InChIKey |
PZUPDEOZRJAYNQ-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: PT03776, Lysine-specific demethylase 2B
Protein ID: PT02979, Lysine-specific demethylase 4C