General Information of the Compound
| Compound ID |
CP0546588
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| Compound Name |
US8796297, 20
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| Structure |
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| Formula |
C9H15N5
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| Molecular Weight |
193.254
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| Canonical SMILES |
NC1CCN(CC1)c1ccnc(N)n1
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| InChI |
InChI=1S/C9H15N5/c10-7-2-5-14(6-3-7)8-1-4-12-9(11)13-8/h1,4,7H,2-3,5-6,10H2,(H2,11,12,13)
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| InChIKey |
KBZTWADNPXTKQW-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