General Information of the Compound
| Compound ID |
CP0477143
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| Compound Name |
2-[1-[[2-(2- methylpropoxy)phenyl]methyl]- imidazol-4-yl]-4-(2H-tetrazol-5- yl)pyridine
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| Structure |
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| Formula |
C20H21N7O
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| Molecular Weight |
375.436
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| Canonical SMILES |
CC(C)COc1ccccc1Cn1cnc(c1)-c1cc(ccn1)-c1nn[nH]n1
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| InChI |
InChI=1S/C20H21N7O/c1-14(2)12-28-19-6-4-3-5-16(19)10-27-11-18(22-13-27)17-9-15(7-8-21-17)20-23-25-26-24-20/h3-9,11,13-14H,10,12H2,1-2H3,(H,23,24,25,26)
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| InChIKey |
RRBCZBSZMNUAFC-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