General Information of the Compound
| Compound ID |
CP0739555
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| Compound Name |
Pyridine-3-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 |
C19H13F2N5O4S
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| Molecular Weight |
445.407
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| Canonical SMILES |
COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)c12
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| InChI |
InChI=1S/C19H13F2N5O4S/c1-30-19-14-11(8-23-18(14)24-9-25-19)17(27)15-12(20)4-5-13(16(15)21)26-31(28,29)10-3-2-6-22-7-10/h2-9,26H,1H3,(H,23,24,25)
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| InChIKey |
NMIWYJBIGBZKLE-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