General Information of the Compound
| Compound ID |
CP0917434
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| Compound Name |
3-(1H-imidazol-4-yl)propyl N-tert-butyl-N'-cyclopentylcarbamimidothioate dihydrobromide
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| Structure |
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| Formula |
C16H29BrN4S
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| Molecular Weight |
389.407
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| Canonical SMILES |
Br.CC(C)(C)N/C(=N/C1CCCC1)SCCCc1c[nH]cn1
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| InChI |
InChI=1S/C16H28N4S.BrH/c1-16(2,3)20-15(19-13-7-4-5-8-13)21-10-6-9-14-11-17-12-18-14;/h11-13H,4-10H2,1-3H3,(H,17,18)(H,19,20);1H
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| InChIKey |
ZSMDSVQCIUEXOD-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