General Information of the Compound
| Compound ID |
CP0666153
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| Compound Name |
4-(3-chloro-4-(trifluoromethoxy)benzyloxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C16H11ClF3N3O4S2
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| Molecular Weight |
465.862
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| Canonical SMILES |
O=S(=O)(Nc1ncns1)c1ccc(OCc2ccc(OC(F)(F)F)c(Cl)c2)cc1
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| InChI |
InChI=1S/C16H11ClF3N3O4S2/c17-13-7-10(1-6-14(13)27-16(18,19)20)8-26-11-2-4-12(5-3-11)29(24,25)23-15-21-9-22-28-15/h1-7,9H,8H2,(H,21,22,23)
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| InChIKey |
XOYPCMZEMYSCQC-UHFFFAOYSA-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