General Information of the Compound
| Compound ID |
CP0428889
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| Compound Name |
1-cyano-2-[3-(1H-imidazol-5-yl)propyl]-3-(2-phenylsulfanylethyl)guanidine
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| Structure |
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| Formula |
C16H20N6S
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| Molecular Weight |
328.445
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| Canonical SMILES |
N#CNC(NCCSc1ccccc1)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C16H20N6S/c17-12-21-16(19-8-4-5-14-11-18-13-22-14)20-9-10-23-15-6-2-1-3-7-15/h1-3,6-7,11,13H,4-5,8-10H2,(H,18,22)(H2,19,20,21)
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| InChIKey |
AAOBJKVPHPJNIH-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: PT01357, Histamine H2 receptor
Protein ID: PT01711, Histamine H4 receptor