General Information of the Compound
| Compound ID |
CP0165898
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| Compound Name |
2-[3-[1-(6-methoxypyridin-3-yl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C20H24N2OS
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| Molecular Weight |
340.492
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| Canonical SMILES |
COc1ccc(cn1)C(C)c1c(CCN(C)C)sc2ccccc12
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| InChI |
InChI=1S/C20H24N2OS/c1-14(15-9-10-19(23-4)21-13-15)20-16-7-5-6-8-17(16)24-18(20)11-12-22(2)3/h5-10,13-14H,11-12H2,1-4H3
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| InChIKey |
BHMPPLVSPUZBNL-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: PT01310, Muscarinic acetylcholine receptor M1