General Information of the Compound
| Compound ID |
CP0846924
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| Compound Name |
5-{4-[12-(4-Methoxy-[1,2,5]thiadiazol-3-yloxy)-dodecyloxy]-[1,2,5]thiadiazol-3-yl}-1-methyl-1,2,3,6-tetrahydro-pyridine
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| Structure |
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| Formula |
C23H37N5O3S2
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| Molecular Weight |
495.715
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| Canonical SMILES |
COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1
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| InChI |
InChI=1S/C23H37N5O3S2/c1-28-15-13-14-19(18-28)20-21(25-32-24-20)30-16-11-9-7-5-3-4-6-8-10-12-17-31-23-22(29-2)26-33-27-23/h14H,3-13,15-18H2,1-2H3
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| InChIKey |
JETRJUTXVVSGTR-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