General Information of the Compound
| Compound ID |
CP0377713
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| Compound Name |
3-(1H-imidazol-5-yl)propyl N'-(4-phenylbutyl)carbamimidothioate
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| Structure |
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| Formula |
C17H24N4S
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| Molecular Weight |
316.474
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| Canonical SMILES |
NC(SCCCc1cnc[nH]1)=NCCCCc1ccccc1
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| InChI |
InChI=1S/C17H24N4S/c18-17(22-12-6-10-16-13-19-14-21-16)20-11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H2,18,20)(H,19,21)
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| InChIKey |
GILFIGFCCGSEPL-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