General Information of the Compound
| Compound ID |
CP0161806
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| Compound Name |
5-chloro-4-(1,3-dioxolan-2-ylmethylamino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C13H13ClFN3O4S2
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| Molecular Weight |
393.849
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| Canonical SMILES |
Fc1cc(NCC2OCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C13H13ClFN3O4S2/c14-8-5-11(24(19,20)18-13-16-1-4-23-13)9(15)6-10(8)17-7-12-21-2-3-22-12/h1,4-6,12,17H,2-3,7H2,(H,16,18)
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| InChIKey |
METAEPLMRZAVNG-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