General Information of the Compound
| Compound ID |
CP0402459
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| Compound Name |
2-[1-(2-naphthalen-1- ylethyl)imidazol-4-yl]-4-(2H- tetrazol-5-yl)pyridine
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| Structure |
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| Formula |
C21H17N7
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| Molecular Weight |
367.416
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| Canonical SMILES |
C(Cn1cnc(c1)-c1cc(ccn1)-c1nn[nH]n1)c1cccc2ccccc12
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| InChI |
InChI=1S/C21H17N7/c1-2-7-18-15(4-1)5-3-6-16(18)9-11-28-13-20(23-14-28)19-12-17(8-10-22-19)21-24-26-27-25-21/h1-8,10,12-14H,9,11H2,(H,24,25,26,27)
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| InChIKey |
QXFLDYAUTAKVLB-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