General Information of the Compound
| Compound ID |
CP0517470
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| Compound Name |
8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one
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| Structure |
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| Formula |
C20H27N3O2
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| Molecular Weight |
341.455
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc2C3=NNC(=O)CC3CCc2c1
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| InChI |
InChI=1S/C20H27N3O2/c1-14-4-2-9-23(14)10-3-11-25-17-7-8-18-15(12-17)5-6-16-13-19(24)21-22-20(16)18/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,21,24)/t14-,16?/m1/s1
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| InChIKey |
SDGOJXHIOGBNPR-IURRXHLWSA-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