General Information of the Compound
| Compound ID |
CP0684011
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| Compound Name |
2,5-Difluoro-N-[2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-benzenesulfonamide
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| Structure |
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| Formula |
C19H11F3N4O3S
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| Molecular Weight |
432.383
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| Canonical SMILES |
O=C(c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1c[nH]c2ncncc12
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| InChI |
InChI=1S/C19H11F3N4O3S/c20-10-4-5-14(21)16(6-10)30(28,29)26-15-3-1-2-11(17(15)22)18(27)12-8-24-19-13(12)7-23-9-25-19/h1-9,26H,(H,23,24,25)
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| InChIKey |
WZVXQYZKRZTNMS-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