General Information of the Compound
| Compound ID |
CP0862308
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| Compound Name |
4-chloro-benzyl-[4-(1H-imidazol-4-yl)-butyl]-amine
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| Structure |
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| Formula |
C14H18ClN3
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| Molecular Weight |
263.772
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| Canonical SMILES |
Clc1ccc(CNCCCCc2c[nH]cn2)cc1
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| InChI |
InChI=1S/C14H18ClN3/c15-13-6-4-12(5-7-13)9-16-8-2-1-3-14-10-17-11-18-14/h4-7,10-11,16H,1-3,8-9H2,(H,17,18)
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| InChIKey |
QEAGVVCSVDNICD-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