General Information of the Compound
| Compound ID |
CP0876486
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| Compound Name |
2,6-Di-tert-butyl-4-phenylthiopyrylium Bromide
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| Structure |
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| Formula |
C19H25BrS
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| Molecular Weight |
365.38
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| Canonical SMILES |
CC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)[s+]1.[Br-]
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| InChI |
InChI=1S/C19H25S.BrH/c1-18(2,3)16-12-15(14-10-8-7-9-11-14)13-17(20-16)19(4,5)6;/h7-13H,1-6H3;1H/q+1;/p-1
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| InChIKey |
POAZPZMUZIDXRD-UHFFFAOYSA-M
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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