General Information of the Compound
| Compound ID |
CP0383357
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| Compound Name |
1,12-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2,5-thiadiazol-3-ylsulfanyl]dodecane
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| Structure |
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| Formula |
C28H44N6S4
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| Molecular Weight |
592.97
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| Canonical SMILES |
CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1
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| InChI |
InChI=1S/C28H44N6S4/c1-33-17-13-15-23(21-33)25-27(31-37-29-25)35-19-11-9-7-5-3-4-6-8-10-12-20-36-28-26(30-38-32-28)24-16-14-18-34(2)22-24/h15-16H,3-14,17-22H2,1-2H3
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| InChIKey |
ZQCPQPVEHGBNPZ-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: PT01156, Muscarinic acetylcholine receptor M4