General Information of the Compound
| Compound ID |
CP0878272
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| Compound Name |
1-[4-(1H-imidazol-4-yl)-butyl]-azepane
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| Structure |
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| Formula |
C13H23N3
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| Molecular Weight |
221.348
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| Canonical SMILES |
c1nc(CCCCN2CCCCCC2)c[nH]1
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| InChI |
InChI=1S/C13H23N3/c1-2-5-9-16(8-4-1)10-6-3-7-13-11-14-12-15-13/h11-12H,1-10H2,(H,14,15)
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| InChIKey |
FJWJHKWEIJMGPV-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