General Information of the Compound
| Compound ID |
CP0380108
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| Compound Name |
1,4-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2,5-thiadiazol-3-ylsulfanyl]butane
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| Structure |
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| Formula |
C20H28N6S4
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| Molecular Weight |
480.754
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| Canonical SMILES |
CN1CCC=C(C1)c1nsnc1SCCCCSc1nsnc1C1=CCCN(C)C1
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| InChI |
InChI=1S/C20H28N6S4/c1-25-9-5-7-15(13-25)17-19(23-29-21-17)27-11-3-4-12-28-20-18(22-30-24-20)16-8-6-10-26(2)14-16/h7-8H,3-6,9-14H2,1-2H3
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| InChIKey |
FZJWOIXDECHTKC-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