General Information of the Compound
| Compound ID |
CP0412804
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| Compound Name |
2-[1-(6-fluoro-2,3-dihydro-1H- inden-1-yl)imidazol-4- yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C18H14FN3O2
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| Molecular Weight |
323.327
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1cn(cn1)C1CCc2ccc(F)cc12
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| InChI |
InChI=1S/C18H14FN3O2/c19-13-3-1-11-2-4-17(14(11)8-13)22-9-16(21-10-22)15-7-12(18(23)24)5-6-20-15/h1,3,5-10,17H,2,4H2,(H,23,24)
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| InChIKey |
IHQFUQDEYXBGQR-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