General Information of the Compound
| Compound ID |
CP0580161
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| Compound Name |
N-[3-[5-(2-aminopyrimidin-4-yl)-2-piperidin-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C24H21F3N6O2S2
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| Molecular Weight |
546.6
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| Canonical SMILES |
Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCCCN1
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| InChI |
InChI=1S/C24H21F3N6O2S2/c25-13-7-8-15(26)19(12-13)37(34,35)33-16-6-3-4-14(20(16)27)21-22(17-9-11-30-24(28)31-17)36-23(32-21)18-5-1-2-10-29-18/h3-4,6-9,11-12,18,29,33H,1-2,5,10H2,(H2,28,30,31)
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| InChIKey |
WMXXTMFNQQZVTB-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