General Information of the Compound
| Compound ID |
CP0502234
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| Compound Name |
4-benzyl-1-[4-(1H-imidazol-5-yl)butyl]triazole
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| Structure |
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| Formula |
C16H19N5
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| Molecular Weight |
281.363
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| Canonical SMILES |
C(CCn1cc(Cc2ccccc2)nn1)Cc1cnc[nH]1
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| InChI |
InChI=1S/C16H19N5/c1-2-6-14(7-3-1)10-16-12-21(20-19-16)9-5-4-8-15-11-17-13-18-15/h1-3,6-7,11-13H,4-5,8-10H2,(H,17,18)
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| InChIKey |
HAVVGSKWBWZXIO-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor