General Information of the Compound
| Compound ID |
CP0414030
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| Compound Name |
US8796297, 4
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| Structure |
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| Formula |
C7H13N5
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| Molecular Weight |
167.216
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| Canonical SMILES |
CC(N)CNc1ccnc(N)n1
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| InChI |
InChI=1S/C7H13N5/c1-5(8)4-11-6-2-3-10-7(9)12-6/h2-3,5H,4,8H2,1H3,(H3,9,10,11,12)
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| InChIKey |
IAFGECINGVZOBV-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