General Information of the Compound
| Compound ID |
CP0849748
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| Compound Name |
Acetic acid 12-[4-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-[1,2,5]thiadiazol-3-yloxy]-dodecyl ester hydrochloride
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| Structure |
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| Formula |
C22H38ClN3O3S
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| Molecular Weight |
460.084
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| Canonical SMILES |
CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1.Cl
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| InChI |
InChI=1S/C22H37N3O3S.ClH/c1-19(26)27-16-11-9-7-5-3-4-6-8-10-12-17-28-22-21(23-29-24-22)20-14-13-15-25(2)18-20;/h14H,3-13,15-18H2,1-2H3;1H
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| InChIKey |
CQGQFKBWLUBQQX-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5