General Information of the Compound
| Compound ID |
CP0781215
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| Compound Name |
tetra(ethylene glycol)(3-methoxy-1,2,4-thiadiazol-5-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 |
C19H29N5O6S2
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| Molecular Weight |
487.604
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| Canonical SMILES |
COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1
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| InChI |
InChI=1S/C19H29N5O6S2/c1-24-6-4-3-5-15(24)16-17(22-32-21-16)29-13-11-27-9-7-26-8-10-28-12-14-30-19-20-18(25-2)23-31-19/h3,5,15H,4,6-14H2,1-2H3
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| InChIKey |
PUNXWODWMDLZDP-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