General Information of the Compound
| Compound ID |
CP0895744
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| Compound Name |
3-(1H-Imidazol-4-yl)propyl N-Cyclohexyl-N'-cyclopentylcarbamimidothioate dihydrobromide
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| Structure |
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| Formula |
C18H31BrN4S
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| Molecular Weight |
415.445
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| Canonical SMILES |
Br.c1nc(CCCS/C(=N\C2CCCC2)NC2CCCCC2)c[nH]1
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| InChI |
InChI=1S/C18H30N4S.BrH/c1-2-7-15(8-3-1)21-18(22-16-9-4-5-10-16)23-12-6-11-17-13-19-14-20-17;/h13-16H,1-12H2,(H,19,20)(H,21,22);1H
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| InChIKey |
AHTDPKPYJXAYSS-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