General Information of the Compound
| Compound ID |
CP0411975
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| Compound Name |
2-[5-[2-(cyclopropylmethoxy)-5- methylphenyl]-1-methylimidazol- 4-yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C21H21N3O3
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| Molecular Weight |
363.417
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| Canonical SMILES |
Cc1ccc(OCC2CC2)c(c1)-c1c(ncn1C)-c1cc(ccn1)C(O)=O
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| InChI |
InChI=1S/C21H21N3O3/c1-13-3-6-18(27-11-14-4-5-14)16(9-13)20-19(23-12-24(20)2)17-10-15(21(25)26)7-8-22-17/h3,6-10,12,14H,4-5,11H2,1-2H3,(H,25,26)
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| InChIKey |
CLOYPTYRSHJGFE-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