General Information of the Compound
| Compound ID |
CP0577379
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| Compound Name |
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(azetidin-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C22H17F3N6O2S2
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| Molecular Weight |
518.546
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| Canonical SMILES |
Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN1
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| InChI |
InChI=1S/C22H17F3N6O2S2/c23-11-4-5-13(24)17(10-11)35(32,33)31-14-3-1-2-12(18(14)25)19-20(15-6-9-28-22(26)29-15)34-21(30-19)16-7-8-27-16/h1-6,9-10,16,27,31H,7-8H2,(H2,26,28,29)
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| InChIKey |
FJGLENKBAGNYGZ-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