General Information of the Compound
| Compound ID |
CP0470180
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| Compound Name |
US8796297, 7
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| Structure |
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| Formula |
C8H15N5
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| Molecular Weight |
181.243
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| Canonical SMILES |
CNCCCNc1ccnc(N)n1
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| InChI |
InChI=1S/C8H15N5/c1-10-4-2-5-11-7-3-6-12-8(9)13-7/h3,6,10H,2,4-5H2,1H3,(H3,9,11,12,13)
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| InChIKey |
VWXNURUJIXIAMU-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