General Information of the Compound
| Compound ID |
CP0945966
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| Compound Name |
2-[1-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
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| Structure |
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| Formula |
C17H14ClN7
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| Molecular Weight |
351.801
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| Canonical SMILES |
CC(c1ccccc1Cl)n1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
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| InChI |
InChI=1S/C17H14ClN7/c1-11(13-4-2-3-5-14(13)18)25-9-16(20-10-25)15-8-12(6-7-19-15)17-21-23-24-22-17/h2-11H,1H3,(H,21,22,23,24)
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| InChIKey |
VSPJHNXAOMARQG-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