General Information of the Compound
| Compound ID |
CP0147381
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| Compound Name |
(-)-(R)-N,N-dimethyl-2-(3-(1-(3-methylpyridin-2-yl)ethyl)benzo[b]thiophen-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 |
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1C
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| InChI |
InChI=1S/C20H24N2S/c1-14-8-7-12-21-20(14)15(2)19-16-9-5-6-10-17(16)23-18(19)11-13-22(3)4/h5-10,12,15H,11,13H2,1-4H3/t15-/m1/s1
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| InChIKey |
KJQCJXUDPPZASI-OAHLLOKOSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2