General Information of the Compound
| Compound ID |
CP0958791
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| Compound Name |
4-((1-(3-chloro-4-(trifluoromethoxy)benzoyl)azetidin-3-yloxy)methyl)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H16ClF3N4O5S2
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| Molecular Weight |
548.952
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| Canonical SMILES |
O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N1CC(OCc2ccc(S(=O)(=O)Nc3ncns3)cc2)C1
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| InChI |
InChI=1S/C20H16ClF3N4O5S2/c21-16-7-13(3-6-17(16)33-20(22,23)24)18(29)28-8-14(9-28)32-10-12-1-4-15(5-2-12)35(30,31)27-19-25-11-26-34-19/h1-7,11,14H,8-10H2,(H,25,26,27)
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| InChIKey |
ADOWSVOCFBZXBB-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