General Information of the Compound
| Compound ID |
CP0471463
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| Compound Name |
2-[1-[2-(4-cyano-1,3- dihydroisoindol-2- yl)ethyl]imidazol-4-yl]pyridine-4- carboxylic acid
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| Structure |
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| Formula |
C20H17N5O2
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| Molecular Weight |
359.389
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1cn(CCN2Cc3cccc(C#N)c3C2)cn1
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| InChI |
InChI=1S/C20H17N5O2/c21-9-15-2-1-3-16-10-24(11-17(15)16)6-7-25-12-19(23-13-25)18-8-14(20(26)27)4-5-22-18/h1-5,8,12-13H,6-7,10-11H2,(H,26,27)
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| InChIKey |
LAEIVQMOCJOJOW-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