General Information of the Compound
| Compound ID |
CP0500525
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| Compound Name |
1-[3-(1H-imidazol-5-yl)propyl]-4-pentyltriazole
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| Structure |
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| Formula |
C13H21N5
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| Molecular Weight |
247.346
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| Canonical SMILES |
CCCCCc1cn(CCCc2cnc[nH]2)nn1
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| InChI |
InChI=1S/C13H21N5/c1-2-3-4-6-13-10-18(17-16-13)8-5-7-12-9-14-11-15-12/h9-11H,2-8H2,1H3,(H,14,15)
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| InChIKey |
MMXFVUGZZAXQNG-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