General Information of the Compound
| Compound ID |
CP0436195
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| Compound Name |
5-(3,5-dibromo-2,4-dihydroxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one
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| Structure |
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| Formula |
C17H8Br2F3NO3S2
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| Molecular Weight |
555.191
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| Canonical SMILES |
Oc1c(Br)cc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)c(O)c1Br
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| InChI |
InChI=1S/C17H8Br2F3NO3S2/c18-10-4-7(13(24)12(19)14(10)25)5-11-15(26)23(16(27)28-11)9-3-1-2-8(6-9)17(20,21)22/h1-6,24-25H/b11-5-
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| InChIKey |
HFUNWZRIPRAKGO-WZUFQYTHSA-N
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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