General Information of the Compound
| Compound ID |
CP0843600
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| Compound Name |
3,3,3-Trifluoro-propane-1-sulfonic acid [2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C16H11F5N4O3S
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| Molecular Weight |
434.346
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| Canonical SMILES |
O=C(c1c(F)ccc(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncncc12
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| InChI |
InChI=1S/C16H11F5N4O3S/c17-10-1-2-11(25-29(27,28)4-3-16(19,20)21)13(18)12(10)14(26)8-6-23-15-9(8)5-22-7-24-15/h1-2,5-7,25H,3-4H2,(H,22,23,24)
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| InChIKey |
YDCUMQYWHIIQBG-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