General Information of the Compound
| Compound ID |
CP0089779
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| Compound Name |
5-(3,5-ditert-butyl-4-hydroxyphenyl)-3H-1,3,4-thiadiazole-2-thione
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| Structure |
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| Formula |
C16H22N2OS2
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| Molecular Weight |
322.499
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| Canonical SMILES |
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nnc(S)s1
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| InChI |
InChI=1S/C16H22N2OS2/c1-15(2,3)10-7-9(13-17-18-14(20)21-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,18,20)
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| InChIKey |
MYNMGQGXYYHMEX-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