General Information of the Compound
| Compound ID |
CP0663176
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| Compound Name |
N-[2,4-Difluoro-3-(5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)-phenyl]-4-trifluoromethyl-benzenesulfonamide
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| Structure |
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| Formula |
C20H11F5N4O3S
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| Molecular Weight |
482.39
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| Canonical SMILES |
O=C(c1c(F)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F)c1c[nH]c2nccnc12
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| InChI |
InChI=1S/C20H11F5N4O3S/c21-13-5-6-14(29-33(31,32)11-3-1-10(2-4-11)20(23,24)25)16(22)15(13)18(30)12-9-28-19-17(12)26-7-8-27-19/h1-9,29H,(H,27,28)
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| InChIKey |
KTMUNDVNGAEVHE-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