General Information of the Compound
| Compound ID |
CP0414431
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| Compound Name |
1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-(2-phenylsulfanylethyl)guanidine
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| Structure |
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| Formula |
C17H22N6S
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| Molecular Weight |
342.472
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| Canonical SMILES |
N#CNC(NCCSc1ccccc1)=NCCCCc1cnc[nH]1
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| InChI |
InChI=1S/C17H22N6S/c18-13-22-17(20-9-5-4-6-15-12-19-14-23-15)21-10-11-24-16-7-2-1-3-8-16/h1-3,7-8,12,14H,4-6,9-11H2,(H,19,23)(H2,20,21,22)
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| InChIKey |
DHHDEHNHEBYRPQ-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: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor