General Information of the Compound
| Compound ID |
CP0470059
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| Compound Name |
US8796297, 11
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| Structure |
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| Formula |
C9H17N5
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| Molecular Weight |
195.27
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| Canonical SMILES |
CC(C)(CN)CNc1ccnc(N)n1
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| InChI |
InChI=1S/C9H17N5/c1-9(2,5-10)6-13-7-3-4-12-8(11)14-7/h3-4H,5-6,10H2,1-2H3,(H3,11,12,13,14)
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| InChIKey |
INEWUXZQWNFHHQ-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: PT01173, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor