General Information of the Compound
| Compound ID |
CP0418408
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| Compound Name |
2-methyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
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| Structure |
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| Formula |
C19H25N3O2
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| Molecular Weight |
327.428
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| Canonical SMILES |
Cn1ncc(cc1=O)-c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C19H25N3O2/c1-21-19(23)14-17(15-20-21)16-6-8-18(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14-15H,2-5,10-13H2,1H3
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| InChIKey |
IQDHHFRBYSXXIU-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT04865, 5-hydroxytryptamine receptor 3A