General Information of the Compound
| Compound ID |
CP0739672
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| Compound Name |
penta(ethylene glycol)(3-methoxy-1,2,5-thiadiazol-4-yl) [3-(1-methyl-1,2,5,6-tetrahydropyrid-3-yl)-1,2,5-thiadiazol-4-yl] ether
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| Structure |
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| Formula |
C21H33N5O7S2
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| Molecular Weight |
531.657
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| Canonical SMILES |
COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1
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| InChI |
InChI=1S/C21H33N5O7S2/c1-26-5-3-4-17(16-26)18-19(23-34-22-18)32-14-12-30-10-8-28-6-7-29-9-11-31-13-15-33-21-20(27-2)24-35-25-21/h4H,3,5-16H2,1-2H3
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| InChIKey |
PGDYOGMNQCUWMZ-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