General Information of the Compound
| Compound ID |
CP0510204
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| Compound Name |
5-(3,5-dibromo-4-hydroxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one
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| Structure |
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| Formula |
C17H8Br2F3NO2S2
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| Molecular Weight |
539.192
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| Canonical SMILES |
Oc1c(Br)cc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1Br
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| InChI |
InChI=1S/C17H8Br2F3NO2S2/c18-11-4-8(5-12(19)14(11)24)6-13-15(25)23(16(26)27-13)10-3-1-2-9(7-10)17(20,21)22/h1-7,24H/b13-6-
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| InChIKey |
NCFAKQJNOMKDOA-MLPAPPSSSA-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