General Information of the Compound
| Compound ID |
CP0462718
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| Compound Name |
US8796297, 22
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| Structure |
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| Formula |
C7H11N5
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| Molecular Weight |
165.2
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| Canonical SMILES |
Nc1nccc(NC2CNC2)n1
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| InChI |
InChI=1S/C7H11N5/c8-7-10-2-1-6(12-7)11-5-3-9-4-5/h1-2,5,9H,3-4H2,(H3,8,10,11,12)
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| InChIKey |
XYMKKWFUDJRTSZ-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: PT01173, Histamine H3 receptor