General Information of the Compound
| Compound ID |
CP0859147
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| Compound Name |
3-(1H-imidazol-4-yl)propyl N'-4-cyanobenzyl-N-cyclohexylcarbamimidothioate dihydrobromide
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| Structure |
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| Formula |
C21H28BrN5S
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| Molecular Weight |
462.461
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| Canonical SMILES |
Br.N#Cc1ccc(C/N=C(/NC2CCCCC2)SCCCc2c[nH]cn2)cc1
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| InChI |
InChI=1S/C21H27N5S.BrH/c22-13-17-8-10-18(11-9-17)14-24-21(26-19-5-2-1-3-6-19)27-12-4-7-20-15-23-16-25-20;/h8-11,15-16,19H,1-7,12,14H2,(H,23,25)(H,24,26);1H
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| InChIKey |
LFHFRYCYXKLHCS-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