General Information of the Compound
| Compound ID |
CP0455745
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| Compound Name |
2-[1-[2-[cyclopropyl-[(3,4- dichlorophenyl)methyl]amino]- ethyl]imidazol-4-yl]pyridine-4- carboxylic acid
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| Structure |
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| Formula |
C21H20Cl2N4O2
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| Molecular Weight |
431.323
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-c1cn(CCN(Cc2ccc(Cl)c(Cl)c2)C2CC2)cn1
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| InChI |
InChI=1S/C21H20Cl2N4O2/c22-17-4-1-14(9-18(17)23)11-27(16-2-3-16)8-7-26-12-20(25-13-26)19-10-15(21(28)29)5-6-24-19/h1,4-6,9-10,12-13,16H,2-3,7-8,11H2,(H,28,29)
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| InChIKey |
BBESHVKYJDBNOB-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