General Information of the Compound
| Compound ID |
CP0536460
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| Compound Name |
2-[1-[2-[methyl-[(4- methylphenyl)methyl]amino]ethyl]- imidazol-4-yl]pyridine-4- carboxylic acid
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| Structure |
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| Formula |
C20H22N4O2
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| Molecular Weight |
350.422
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| Canonical SMILES |
CN(CCn1cnc(c1)-c1cc(ccn1)C(O)=O)Cc1ccc(C)cc1
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| InChI |
InChI=1S/C20H22N4O2/c1-15-3-5-16(6-4-15)12-23(2)9-10-24-13-19(22-14-24)18-11-17(20(25)26)7-8-21-18/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,25,26)
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| InChIKey |
VMAUOSFBQMHMCI-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