General Information of the Compound
| Compound ID |
CP0490858
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| Compound Name |
2-[5-[[4-chloro-3-(2,2,2- trifluoroethoxy)phenyl]methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C18H13ClF3N3O4
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| Molecular Weight |
427.766
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1OCc1ccc(Cl)c(OCC(F)(F)F)c1
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| InChI |
InChI=1S/C18H13ClF3N3O4/c19-13-2-1-11(7-14(13)29-10-18(20,21)22)9-28-16-4-6-24-25(16)15-8-12(17(26)27)3-5-23-15/h1-8H,9-10H2,(H,26,27)
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| InChIKey |
NUKWFAQUBJIRPU-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