General Information of the Compound
| Compound ID |
CP0899575
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| Compound Name |
(E)-3-(Diphenylphosphorothioyl)-2-methyl-1-(3-p-tolylallyl)-imidazo[1,2-a]pyridin-1-iumBromide
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| Structure |
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| Formula |
C30H28BrN2PS
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| Molecular Weight |
559.513
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| Canonical SMILES |
Cc1ccc(/C=C/C[n+]2c(C)c(P(=S)(c3ccccc3)c3ccccc3)n3ccccc32)cc1.[Br-]
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| InChI |
InChI=1S/C30H28N2PS.BrH/c1-24-18-20-26(21-19-24)12-11-23-31-25(2)30(32-22-10-9-17-29(31)32)33(34,27-13-5-3-6-14-27)28-15-7-4-8-16-28;/h3-22H,23H2,1-2H3;1H/q+1;/p-1/b12-11+;
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| InChIKey |
PLJOYTSAUJSHBE-CALJPSDSSA-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