General Information of the Compound
| Compound ID |
CP0474044
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| Compound Name |
8-(1-cyclobutylpiperidin-4-yl)oxy-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one
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| Structure |
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
O=C1CC2CCc3cc(OC4CCN(CC4)C4CCC4)ccc3C2=NN1
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| InChI |
InChI=1S/C21H27N3O2/c25-20-13-15-5-4-14-12-18(6-7-19(14)21(15)23-22-20)26-17-8-10-24(11-9-17)16-2-1-3-16/h6-7,12,15-17H,1-5,8-11,13H2,(H,22,25)
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| InChIKey |
HATYSQMZVOJUBT-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor