General Information of the Compound
| Compound ID |
CP0880960
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| Compound Name |
3-Difluoromethoxy-N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-benzenesulfonamide
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| Structure |
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| Formula |
C20H12F4N4O4S
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| Molecular Weight |
480.399
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| Canonical SMILES |
O=C(c1c(F)ccc(NS(=O)(=O)c2cccc(OC(F)F)c2)c1F)c1c[nH]c2ncncc12
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| InChI |
InChI=1S/C20H12F4N4O4S/c21-14-4-5-15(28-33(30,31)11-3-1-2-10(6-11)32-20(23)24)17(22)16(14)18(29)12-8-26-19-13(12)7-25-9-27-19/h1-9,20,28H,(H,25,26,27)
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| InChIKey |
QRKHMWQXURSMLZ-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