General Information of the Compound
| Compound ID |
CP0315133
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| Compound Name |
4-[[(2R,3R)-2-tert-butyloxan-3-yl]methylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C19H25ClFN3O3S2
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| Molecular Weight |
462.012
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| Canonical SMILES |
CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C19H25ClFN3O3S2/c1-19(2,3)17-12(5-4-7-27-17)11-23-15-10-14(21)16(9-13(15)20)29(25,26)24-18-22-6-8-28-18/h6,8-10,12,17,23H,4-5,7,11H2,1-3H3,(H,22,24)/t12-,17-/m1/s1
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| InChIKey |
MAOFMAFTHDKOCO-SJKOYZFVSA-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