General Information of the Compound
| Compound ID |
CP0469140
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| Compound Name |
1-[[1-[3-(1H-imidazol-5-yl)propyl]triazol-4-yl]methyl]-4-methylpiperazine
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| Structure |
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| Formula |
C14H23N7
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| Molecular Weight |
289.387
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| Canonical SMILES |
CN1CCN(Cc2cn(CCCc3cnc[nH]3)nn2)CC1
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| InChI |
InChI=1S/C14H23N7/c1-19-5-7-20(8-6-19)10-14-11-21(18-17-14)4-2-3-13-9-15-12-16-13/h9,11-12H,2-8,10H2,1H3,(H,15,16)
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| InChIKey |
MXVSWHVQKWOCDV-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