General Information of the Compound
| Compound ID |
CP0842124
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| Compound Name |
3-(diphenylphosphorothioyl)-1,2-dimethylimidazo[1,2-a]pyridin-1-ium
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| Structure |
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| Formula |
C21H20IN2PS
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| Molecular Weight |
490.35
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| Canonical SMILES |
Cc1c(P(=S)(c2ccccc2)c2ccccc2)[n+]2ccccc2n1C.[I-]
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| InChI |
InChI=1S/C21H20N2PS.HI/c1-17-21(23-16-10-9-15-20(23)22(17)2)24(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;/h3-16H,1-2H3;1H/q+1;/p-1
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| InChIKey |
NGIYPOKIAWXJRX-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