General Information of the Compound
| Compound ID |
CP0226082
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| Compound Name |
5-chloro-2-fluoro-4-[2-(oxan-3-yl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C16H19ClFN3O3S2
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| Molecular Weight |
419.931
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| Canonical SMILES |
Fc1cc(NCCC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C16H19ClFN3O3S2/c17-12-8-15(26(22,23)21-16-20-5-7-25-16)13(18)9-14(12)19-4-3-11-2-1-6-24-10-11/h5,7-9,11,19H,1-4,6,10H2,(H,20,21)
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| InChIKey |
USTPUKPHUQZTTM-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