General Information of the Compound
| Compound ID |
CP0510872
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| Compound Name |
N-methyl-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-amine
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| Structure |
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| Formula |
C13H22N4OS
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| Molecular Weight |
282.413
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| Canonical SMILES |
CNCCCCOc1nsnc1C1=CCCN(C)C1
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| InChI |
InChI=1S/C13H22N4OS/c1-14-7-3-4-9-18-13-12(15-19-16-13)11-6-5-8-17(2)10-11/h6,14H,3-5,7-10H2,1-2H3
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| InChIKey |
AIRVTGNRJJSEIN-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