General Information of the Compound
| Compound ID |
CP0004048
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| Compound Name |
5-chloro-4-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C17H13ClF3N3O2S2
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| Molecular Weight |
447.891
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| Canonical SMILES |
C[C@H](Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1F
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| InChI |
InChI=1S/C17H13ClF3N3O2S2/c1-9(11-3-2-10(19)6-13(11)20)23-15-8-14(21)16(7-12(15)18)28(25,26)24-17-22-4-5-27-17/h2-9,23H,1H3,(H,22,24)/t9-/m0/s1
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| InChIKey |
PGAFBTBFTNJDLQ-VIFPVBQESA-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