General Information of the Compound
| Compound ID |
CP0385794
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| Compound Name |
US8796297, 23
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| Structure |
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| Formula |
C11H17N5
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| Molecular Weight |
219.292
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| Canonical SMILES |
Nc1nccc(n1)N1CCC2(CNC2)CC1
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| InChI |
InChI=1S/C11H17N5/c12-10-14-4-1-9(15-10)16-5-2-11(3-6-16)7-13-8-11/h1,4,13H,2-3,5-8H2,(H2,12,14,15)
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| InChIKey |
LUKGRPKULAYZKC-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