General Information of the Compound
| Compound ID |
CP0396888
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| Compound Name |
5-[(4-chlorophenyl)methyl]-7-[4-(3-piperidin-1-ylpropoxy)phenyl]thieno[2,3-d]pyridazin-4-one
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| Structure |
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| Formula |
C27H28ClN3O2S
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| Molecular Weight |
494.06
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| Canonical SMILES |
Clc1ccc(Cn2nc(-c3ccc(OCCCN4CCCCC4)cc3)c3sccc3c2=O)cc1
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| InChI |
InChI=1S/C27H28ClN3O2S/c28-22-9-5-20(6-10-22)19-31-27(32)24-13-18-34-26(24)25(29-31)21-7-11-23(12-8-21)33-17-4-16-30-14-2-1-3-15-30/h5-13,18H,1-4,14-17,19H2
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| InChIKey |
MZYLSOJVMAGGLK-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