General Information of the Compound
| Compound ID |
CP0459815
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| Compound Name |
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-pyrrol-1-ylbutoxy)-1,2,5-thiadiazole
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| Structure |
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| Formula |
C16H22N4OS
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| Molecular Weight |
318.446
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| Canonical SMILES |
CN1CCC=C(C1)c1nsnc1OCCCCn1cccc1
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| InChI |
InChI=1S/C16H22N4OS/c1-19-8-6-7-14(13-19)15-16(18-22-17-15)21-12-5-4-11-20-9-2-3-10-20/h2-3,7,9-10H,4-6,8,11-13H2,1H3
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| InChIKey |
XVMMXCXQMIWYSE-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
Cell-based Assay