General Information of the Compound
| Compound ID |
CP0504832
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| Compound Name |
2,6-Di-tert-butyl-4-(5-mercapto-[1,3,4]thiadiazol-2-ylsulfanyl)-phenol
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| Structure |
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| Formula |
C16H22N2OS3
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| Molecular Weight |
354.566
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| Canonical SMILES |
CC(C)(C)c1cc(Sc2nnc(S)s2)cc(c1O)C(C)(C)C
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| InChI |
InChI=1S/C16H22N2OS3/c1-15(2,3)10-7-9(21-14-18-17-13(20)22-14)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,17,20)
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| InChIKey |
AOZAHKUGJGJVQY-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