General Information of the Compound
| Compound ID |
CP0854594
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| Compound Name |
2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
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| Structure |
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| Formula |
C20H19N7
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| Molecular Weight |
357.421
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| Canonical SMILES |
c1ccc2c(c1)CCCC2Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
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| InChI |
InChI=1S/C20H19N7/c1-2-7-17-14(4-1)5-3-6-16(17)11-27-12-19(22-13-27)18-10-15(8-9-21-18)20-23-25-26-24-20/h1-2,4,7-10,12-13,16H,3,5-6,11H2,(H,23,24,25,26)
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| InChIKey |
AHJAGGVQXVXBBG-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: PT03382, Lysine-specific demethylase 5B