General Information of the Compound
| Compound ID |
CP0926472
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| Compound Name |
N-cyclopropyl-N-(1-(5-fluoro-2-(methylsulfonyl)benzoyl)azetidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H20F4N2O5S2
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| Molecular Weight |
520.526
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| Canonical SMILES |
CS(=O)(=O)c1ccc(F)cc1C(=O)N1CC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
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| InChI |
InChI=1S/C21H20F4N2O5S2/c1-33(29,30)19-8-5-14(22)10-18(19)20(28)26-11-16(12-26)27(15-6-7-15)34(31,32)17-4-2-3-13(9-17)21(23,24)25/h2-5,8-10,15-16H,6-7,11-12H2,1H3
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| InChIKey |
SHDLAVPSELPXCM-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