General Information of the Compound
| Compound ID |
CP0894046
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| Compound Name |
3-(Diphenylphosphorothioyl)-2-methyl-1-(1-oxo-2-phenylethyl)-imidazo[1,2-a]pyridin-1-ium Bromide
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| Structure |
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| Formula |
C28H24BrN2OPS
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| Molecular Weight |
547.458
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| Canonical SMILES |
Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C(=O)Cc1ccccc1.[Br-]
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| InChI |
InChI=1S/C28H24N2OPS.BrH/c1-22-28(32(33,24-15-7-3-8-16-24)25-17-9-4-10-18-25)29-20-12-11-19-26(29)30(22)27(31)21-23-13-5-2-6-14-23;/h2-20H,21H2,1H3;1H/q+1;/p-1
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| InChIKey |
TXPZFDWGJMGDRM-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