General Information of the Compound
| Compound ID |
CP0855748
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| Compound Name |
1-Benzyl-3-(diphenylphosphorothioyl)-2-methylimidazo[1,2-a]-pyridin-1-ium Trifluoroacetate
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| Structure |
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| Formula |
C29H24F3N2O2PS
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| Molecular Weight |
552.558
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| Canonical SMILES |
Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1Cc1ccccc1.O=C([O-])C(F)(F)F
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| InChI |
InChI=1S/C27H24N2PS.C2HF3O2/c1-22-27(30(31,24-15-7-3-8-16-24)25-17-9-4-10-18-25)28-20-12-11-19-26(28)29(22)21-23-13-5-2-6-14-23;3-2(4,5)1(6)7/h2-20H,21H2,1H3;(H,6,7)/q+1;/p-1
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| InChIKey |
YSMFSLMPDKIZRB-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