General Information of the Compound
| Compound ID |
CP0933710
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| Compound Name |
(E)-3-(Diphenylphosphorothioyl)-1-(3-(3-methoxyphenyl)allyl)-2-methylimidazo[1,2-a]pyridin-1-iumTrifluoroacetate
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| Structure |
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| Formula |
C32H28F3N2O3PS
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| Molecular Weight |
608.622
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| Canonical SMILES |
COc1cccc(/C=C/C[n+]2c(C)c(P(=S)(c3ccccc3)c3ccccc3)n3ccccc32)c1.O=C([O-])C(F)(F)F
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| InChI |
InChI=1S/C30H28N2OPS.C2HF3O2/c1-24-30(34(35,27-16-5-3-6-17-27)28-18-7-4-8-19-28)32-21-10-9-20-29(32)31(24)22-12-14-25-13-11-15-26(23-25)33-2;3-2(4,5)1(6)7/h3-21,23H,22H2,1-2H3;(H,6,7)/q+1;/p-1/b14-12+;
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| InChIKey |
DDDQRAOCRZDYEI-UNGNXWFZSA-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