General Information of the Compound
| Compound ID |
CP0539618
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| Compound Name |
US8796297, 19
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| Structure |
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| Formula |
C17H21N5
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| Molecular Weight |
295.39
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| Canonical SMILES |
Nc1nccc(n1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1
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| InChI |
InChI=1S/C17H21N5/c18-17-19-7-6-16(20-17)22-11-14-9-21(10-15(14)12-22)8-13-4-2-1-3-5-13/h1-7,14-15H,8-12H2,(H2,18,19,20)/t14-,15+
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| InChIKey |
CTCFRTYLQWWNHX-GASCZTMLSA-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