General Information of the Compound
| Compound ID |
CP0456238
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| Compound Name |
2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one
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| Structure |
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| Formula |
C17H21N3O
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| Molecular Weight |
283.375
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| Canonical SMILES |
Cn1nc(ccc1=O)-c1ccc(CCN2CCCC2)cc1
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| InChI |
InChI=1S/C17H21N3O/c1-19-17(21)9-8-16(18-19)15-6-4-14(5-7-15)10-13-20-11-2-3-12-20/h4-9H,2-3,10-13H2,1H3
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| InChIKey |
LDXDTQGGVQBLFC-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