General Information of the Compound
| Compound ID |
CP0942690
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| Compound Name |
(E)-1-(3-(4-Chlorophenyl)allyl)-3-(diphenylphosphorothioyl)-2-methylimidazo[1,2-a]pyridin-1-iumTrifluoroacetate
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| Structure |
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| Formula |
C31H25ClF3N2O2PS
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| Molecular Weight |
613.041
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| Canonical SMILES |
Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C/C=C/c1ccc(Cl)cc1.O=C([O-])C(F)(F)F
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| InChI |
InChI=1S/C29H25ClN2PS.C2HF3O2/c1-23-29(33(34,26-12-4-2-5-13-26)27-14-6-3-7-15-27)32-21-9-8-16-28(32)31(23)22-10-11-24-17-19-25(30)20-18-24;3-2(4,5)1(6)7/h2-21H,22H2,1H3;(H,6,7)/q+1;/p-1/b11-10+;
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| InChIKey |
QICUXDWYSSPUMQ-ASTDGNLGSA-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