General Information of the Compound
| Compound ID |
CP0891660
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| Compound Name |
3-(1H-Imidazol-4-yl)propyl N-Benzyl-N'-cyclopentylcarbamimidothioate dihydrobromide
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| Structure |
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| Formula |
C19H27BrN4S
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| Molecular Weight |
423.424
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| Canonical SMILES |
Br.c1ccc(CN/C(=N/C2CCCC2)SCCCc2c[nH]cn2)cc1
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| InChI |
InChI=1S/C19H26N4S.BrH/c1-2-7-16(8-3-1)13-21-19(23-17-9-4-5-10-17)24-12-6-11-18-14-20-15-22-18;/h1-3,7-8,14-15,17H,4-6,9-13H2,(H,20,22)(H,21,23);1H
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| InChIKey |
FFXBYWVBGZWDGV-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