General Information of the Compound
| Compound ID |
CP0963652
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| Compound Name |
2-fluoro-N-(thiazol-2-yl)-4-(4-(6-(trifluoromethyl)pyridin-2-yl)piperidin-1-ylsulfonyl)benzenesulfonamide
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| Structure |
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| Formula |
C20H18F4N4O4S3
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| Molecular Weight |
550.581
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| Canonical SMILES |
O=S(=O)(Nc1nccs1)c1ccc(S(=O)(=O)N2CCC(c3cccc(C(F)(F)F)n3)CC2)cc1F
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| InChI |
InChI=1S/C20H18F4N4O4S3/c21-15-12-14(4-5-17(15)34(29,30)27-19-25-8-11-33-19)35(31,32)28-9-6-13(7-10-28)16-2-1-3-18(26-16)20(22,23)24/h1-5,8,11-13H,6-7,9-10H2,(H,25,27)
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| InChIKey |
OCFMVTUKELOBBR-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