General Information of the Compound
| Compound ID |
CP0504240
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| Compound Name |
5-(3,5-Di-tert-butyl-4-hydroxy-phenylsulfanyl)-[1,3,4]thiadiazol-2-yl-cyanamide
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| Structure |
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| Formula |
C17H22N4OS2
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| Molecular Weight |
362.524
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| Canonical SMILES |
CC(C)(C)c1cc(Sc2nnc(NC#N)s2)cc(c1O)C(C)(C)C
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| InChI |
InChI=1S/C17H22N4OS2/c1-16(2,3)11-7-10(8-12(13(11)22)17(4,5)6)23-15-21-20-14(24-15)19-9-18/h7-8,22H,1-6H3,(H,19,20)
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| InChIKey |
RWYDEIXAYCULGB-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