General Information of the Compound
| Compound ID |
CP0477109
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| Compound Name |
1-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2,5-thiadiazol-3-yloxy]-2-{2-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2,5-thiadiazol-3-yloxy]ethoxy}ethane
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| Structure |
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| Formula |
C20H28N6O3S2
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| Molecular Weight |
464.617
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| Canonical SMILES |
CN1CCC=C(C1)c1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1
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| InChI |
InChI=1S/C20H28N6O3S2/c1-25-7-3-5-15(13-25)17-19(23-30-21-17)28-11-9-27-10-12-29-20-18(22-31-24-20)16-6-4-8-26(2)14-16/h5-6H,3-4,7-14H2,1-2H3
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| InChIKey |
HNWCHNFPEDKCFF-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