General Information of the Compound
| Compound ID |
CP0862620
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| Compound Name |
Acetic acid 2-[2-(2-{2-[4-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-[1,2,5]thiadiazol-3-yloxy]-ethoxy}-ethoxy)-ethoxy]-ethyl ester hydrochloride
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| Structure |
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| Formula |
C18H30ClN3O6S
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| Molecular Weight |
451.973
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| Canonical SMILES |
CC(=O)OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1.Cl
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| InChI |
InChI=1S/C18H29N3O6S.ClH/c1-15(22)26-12-10-24-8-6-23-7-9-25-11-13-27-18-17(19-28-20-18)16-4-3-5-21(2)14-16;/h4H,3,5-14H2,1-2H3;1H
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| InChIKey |
LEYSSGPRVSMMQJ-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01516, Muscarinic acetylcholine receptor M5