General Information of the Compound
| Compound ID |
CP0944115
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| Compound Name |
2,6-Di-tert-butyl-4-(5-carboxythien-2-yl)thiopyrylium Hexafluorophosphate
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| Structure |
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| Formula |
C18H23F6O2PS2
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| Molecular Weight |
480.476
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| Canonical SMILES |
CC(C)(C)c1cc(-c2ccc(C(=O)O)s2)cc(C(C)(C)C)[s+]1.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C18H22O2S2.F6P/c1-17(2,3)14-9-11(10-15(22-14)18(4,5)6)12-7-8-13(21-12)16(19)20;1-7(2,3,4,5)6/h7-10H,1-6H3;/q;-1/p+1
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| InChIKey |
XMTDBRRTFXNFRO-UHFFFAOYSA-O
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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