General Information of the Compound
| Compound ID |
CP0580197
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| Compound Name |
N-[3-[5-(2-aminopyrimidin-4-yl)-2-pyrrolidin-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C23H19F3N6O2S2
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| Molecular Weight |
532.573
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| Canonical SMILES |
Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCCN1
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| InChI |
InChI=1S/C23H19F3N6O2S2/c24-12-6-7-14(25)18(11-12)36(33,34)32-15-4-1-3-13(19(15)26)20-21(16-8-10-29-23(27)30-16)35-22(31-20)17-5-2-9-28-17/h1,3-4,6-8,10-11,17,28,32H,2,5,9H2,(H2,27,29,30)
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| InChIKey |
YFTCMSQTEOCRBN-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