General Information of the Compound
| Compound ID |
CP0860976
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| Compound Name |
(E)-3-(Diphenylphosphorothioyl)-2-methyl-1-(3-(naphthalen-2-yl)allyl)imidazo[1,2-a]pyridin-1-iumBromide
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| Structure |
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| Formula |
C33H28BrN2PS
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| Molecular Weight |
595.546
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| Canonical SMILES |
Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C/C=C/c1ccc2ccccc2c1.[Br-]
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| InChI |
InChI=1S/C33H28N2PS.BrH/c1-26-33(36(37,30-16-4-2-5-17-30)31-18-6-3-7-19-31)35-23-11-10-20-32(35)34(26)24-12-13-27-21-22-28-14-8-9-15-29(28)25-27;/h2-23,25H,24H2,1H3;1H/q+1;/p-1/b13-12+;
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| InChIKey |
DMRUTZUETLGBIJ-UEIGIMKUSA-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