General Information of the Compound
| Compound ID |
CP0429899
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| Compound Name |
2-[5-(4-chloro-3-fluorophenyl)-1- (3-methoxypropyl)-1H-imidazol- 4-yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C19H17ClFN3O3
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| Molecular Weight |
389.814
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| Canonical SMILES |
COCCCn1cnc(c1-c1ccc(Cl)c(F)c1)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C19H17ClFN3O3/c1-27-8-2-7-24-11-23-17(16-10-13(19(25)26)5-6-22-16)18(24)12-3-4-14(20)15(21)9-12/h3-6,9-11H,2,7-8H2,1H3,(H,25,26)
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| InChIKey |
YXQDIIPJDPYZJA-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
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B