General Information of the Compound
| Compound ID |
CP0431300
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| Compound Name |
7-[4-(3-piperidin-1-ylpropoxy)phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
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| Structure |
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| Formula |
C23H29N3O2S
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| Molecular Weight |
411.571
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| Canonical SMILES |
CC(C)n1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2sccc2c1=O
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| InChI |
InChI=1S/C23H29N3O2S/c1-17(2)26-23(27)20-11-16-29-22(20)21(24-26)18-7-9-19(10-8-18)28-15-6-14-25-12-4-3-5-13-25/h7-11,16-17H,3-6,12-15H2,1-2H3
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| InChIKey |
PYMHFJGIXTZSGR-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