General Information of the Compound
| Compound ID |
CP0416894
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| Compound Name |
5-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylpyridazin-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 |
Cn1ncc(cc1=O)-c1ccc(OCCCN2CCCCCC2)cc1
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| InChI |
InChI=1S/C20H27N3O2/c1-22-20(24)15-18(16-21-22)17-7-9-19(10-8-17)25-14-6-13-23-11-4-2-3-5-12-23/h7-10,15-16H,2-6,11-14H2,1H3
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| InChIKey |
FSIKVHPOLUUBDN-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