General Information of the Compound
| Compound ID |
CP0401216
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| Compound Name |
3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C20H25N3O2
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| Molecular Weight |
339.439
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| Canonical SMILES |
O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
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| InChI |
InChI=1S/C20H25N3O2/c24-20-10-9-19(21-22-20)15-5-7-17(8-6-15)25-18-11-13-23(14-12-18)16-3-1-2-4-16/h5-10,16,18H,1-4,11-14H2,(H,22,24)
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| InChIKey |
DQUAQBPYBUZQTK-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