General Information of the Compound
| Compound ID |
CP0511621
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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-{2-[2-(2-{2-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2,5-thiadiazol-3-yloxy]ethoxy}ethoxy)ethoxy]ethoxy}ethoxy)ethane
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| Structure |
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| Formula |
C28H44N6O7S2
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| Molecular Weight |
640.829
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| Canonical SMILES |
CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1
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| InChI |
InChI=1S/C28H44N6O7S2/c1-33-7-3-5-23(21-33)25-27(31-42-29-25)40-19-17-38-15-13-36-11-9-35-10-12-37-14-16-39-18-20-41-28-26(30-43-32-28)24-6-4-8-34(2)22-24/h5-6H,3-4,7-22H2,1-2H3
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| InChIKey |
ZFPDBZINGWXASE-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