General Information of the Compound
| Compound ID |
CP0345299
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| Compound Name |
4-[2-[3-(azetidin-1-ylmethyl)phenyl]-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C24H19Cl2FN4O3S2
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| Molecular Weight |
565.479
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| Canonical SMILES |
Fc1cc(Oc2ccc(Cl)cc2-c2cccc(CN3CCC3)c2)c(Cl)cc1S(=O)(=O)Nc1nncs1
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| InChI |
InChI=1S/C24H19Cl2FN4O3S2/c25-17-5-6-21(18(10-17)16-4-1-3-15(9-16)13-31-7-2-8-31)34-22-12-20(27)23(11-19(22)26)36(32,33)30-24-29-28-14-35-24/h1,3-6,9-12,14H,2,7-8,13H2,(H,29,30)
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| InChIKey |
WNOWJORROBGRSP-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