General Information of the Compound
| Compound ID |
CP0400807
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| Compound Name |
3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]-N-cyclohexylcarbamimidothioate
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| Structure |
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| Formula |
C20H27ClN4S
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| Molecular Weight |
390.984
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| Canonical SMILES |
Clc1ccc(CN=C(NC2CCCCC2)SCCCc2cnc[nH]2)cc1
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| InChI |
InChI=1S/C20H27ClN4S/c21-17-10-8-16(9-11-17)13-23-20(25-18-5-2-1-3-6-18)26-12-4-7-19-14-22-15-24-19/h8-11,14-15,18H,1-7,12-13H2,(H,22,24)(H,23,25)
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| InChIKey |
DOPOFWDDERLSPU-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