General Information of the Compound
| Compound ID |
CP0147331
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| Compound Name |
(-)-(R)-N-methyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
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| Structure |
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| Formula |
C18H20N2S
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| Molecular Weight |
296.439
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| Canonical SMILES |
CNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1
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| InChI |
InChI=1S/C18H20N2S/c1-13(15-8-5-6-11-20-15)18-14-7-3-4-9-16(14)21-17(18)10-12-19-2/h3-9,11,13,19H,10,12H2,1-2H3/t13-/m0/s1
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| InChIKey |
VMZBJCIUNPGQKF-ZDUSSCGKSA-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