General Information of the Compound
| Compound ID |
CP0768460
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| Compound Name |
2-Cyano-1-methyl-3-[4-(5-methyl-1H-imidazol-4-yl)butyl]guanidine
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| Structure |
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| Formula |
C11H18N6
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| Molecular Weight |
234.307
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| Canonical SMILES |
CN/C(=N/C#N)NCCCCc1nc[nH]c1C
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| InChI |
InChI=1S/C11H18N6/c1-9-10(17-8-16-9)5-3-4-6-14-11(13-2)15-7-12/h8H,3-6H2,1-2H3,(H,16,17)(H2,13,14,15)
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| InChIKey |
KJWJXDFLNPYZBC-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