General Information of the Compound
| Compound ID |
CP0899743
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| Compound Name |
3-(Diphenylphosphorothioyl)-1-methylimidazo[1,2-a]-pyridin-1-iumMethylSulfate
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| Structure |
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| Formula |
C21H21N2O4PS2
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| Molecular Weight |
460.517
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| Canonical SMILES |
COS(=O)(=O)[O-].C[n+]1cc(P(=S)(c2ccccc2)c2ccccc2)n2ccccc21
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| InChI |
InChI=1S/C20H18N2PS.CH4O4S/c1-21-16-20(22-15-9-8-14-19(21)22)23(24,17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-5-6(2,3)4/h2-16H,1H3;1H3,(H,2,3,4)/q+1;/p-1
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| InChIKey |
UWKCXHWQLZYRDH-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