General Information of the Compound
| Compound ID |
CP0893166
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| Compound Name |
2-fluoro-N-(1,2,4-thiadiazol-5-yl)-4-(4-(5-(2-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl)benzenesulfonamide
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| Structure |
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| Formula |
C23H18F4N6O4S2
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| Molecular Weight |
582.561
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| Canonical SMILES |
O=C(c1ccc(S(=O)(=O)Nc2ncns2)c(F)c1)N1CCC(c2noc(-c3ccccc3C(F)(F)F)n2)CC1
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| InChI |
InChI=1S/C23H18F4N6O4S2/c24-17-11-14(5-6-18(17)39(35,36)32-22-28-12-29-38-22)21(34)33-9-7-13(8-10-33)19-30-20(37-31-19)15-3-1-2-4-16(15)23(25,26)27/h1-6,11-13H,7-10H2,(H,28,29,32)
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| InChIKey |
MKEMCLJJOPTIGA-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