General Information of the Compound
| Compound ID |
CP0214260
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| Compound Name |
N,N-dimethyl-2-[3-[1-(4-methylpyridin-2-yl)ethyl]-1-benzothiophen-2-yl]ethanamine
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| Structure |
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| Formula |
C20H24N2S
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| Molecular Weight |
324.493
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| Canonical SMILES |
CC(c1c(CCN(C)C)sc2ccccc12)c1cc(C)ccn1
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| InChI |
InChI=1S/C20H24N2S/c1-14-9-11-21-17(13-14)15(2)20-16-7-5-6-8-18(16)23-19(20)10-12-22(3)4/h5-9,11,13,15H,10,12H2,1-4H3
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| InChIKey |
HFLPUFFCCFMOMB-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