General Information of the Compound
| Compound ID |
CP0747766
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| Compound Name |
N-[2,4-Difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-2,6-difluoro-benzenesulfonamide
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| Structure |
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| Formula |
C19H10F4N4O3S
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| Molecular Weight |
450.373
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| Canonical SMILES |
O=C(c1c(F)ccc(NS(=O)(=O)c2c(F)cccc2F)c1F)c1c[nH]c2ncncc12
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| InChI |
InChI=1S/C19H10F4N4O3S/c20-11-4-5-14(27-31(29,30)18-12(21)2-1-3-13(18)22)16(23)15(11)17(28)9-7-25-19-10(9)6-24-8-26-19/h1-8,27H,(H,24,25,26)
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| InChIKey |
FUQUJGTTWIMJGV-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