General Information of the Compound
| Compound ID |
CP0866806
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| Compound Name |
2-fluoro-N-(1,2,4-thiadiazol-5-yl)-4-(4-(2-(trifluoromethyl)pyrimidin-4-yl)piperidine-1-carbonyl)benzenesulfonamide
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| Structure |
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| Formula |
C19H16F4N6O3S2
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| Molecular Weight |
516.502
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| Canonical SMILES |
O=C(c1ccc(S(=O)(=O)Nc2ncns2)c(F)c1)N1CCC(c2ccnc(C(F)(F)F)n2)CC1
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| InChI |
InChI=1S/C19H16F4N6O3S2/c20-13-9-12(1-2-15(13)34(31,32)28-18-25-10-26-33-18)16(30)29-7-4-11(5-8-29)14-3-6-24-17(27-14)19(21,22)23/h1-3,6,9-11H,4-5,7-8H2,(H,25,26,28)
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| InChIKey |
ITQJTRKSLAHJAK-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