General Information of the Compound
| Compound ID |
CP0315602
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| Compound Name |
3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one
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| Structure |
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| Formula |
C19H24N2O3
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| Molecular Weight |
328.412
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| Canonical SMILES |
COc1cn(ccc1=O)-c1ccc(OCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C19H24N2O3/c1-23-19-15-21(13-9-18(19)22)16-5-7-17(8-6-16)24-14-4-12-20-10-2-3-11-20/h5-9,13,15H,2-4,10-12,14H2,1H3
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| InChIKey |
AJIBPHAILGCWNT-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: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor