General Information of the Compound
| Compound ID |
CP0894044
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| Compound Name |
3-(1H-imidazol-4-yl)propyl N-butyl-N'-(4-chlorobenzyl)carbamimidothioate dihydrobromide
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| Structure |
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| Formula |
C18H26BrClN4S
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| Molecular Weight |
445.858
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| Canonical SMILES |
Br.CCCCN/C(=N/Cc1ccc(Cl)cc1)SCCCc1c[nH]cn1
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| InChI |
InChI=1S/C18H25ClN4S.BrH/c1-2-3-10-21-18(22-12-15-6-8-16(19)9-7-15)24-11-4-5-17-13-20-14-23-17;/h6-9,13-14H,2-5,10-12H2,1H3,(H,20,23)(H,21,22);1H
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| InChIKey |
HCTKLLASRSKXAV-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