General Information of the Compound
| Compound ID |
CP0573231
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| Compound Name |
N-[2-[2-(2,3-difluorophenoxy)ethylsulfanyl]-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C16H20F2N4O4S2
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| Molecular Weight |
434.49
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| Canonical SMILES |
C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCCOc2cccc(F)c2F)n1
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| InChI |
InChI=1S/C16H20F2N4O4S2/c1-10(9-23)19-13-8-14(22-28(2,24)25)21-16(20-13)27-7-6-26-12-5-3-4-11(17)15(12)18/h3-5,8,10,23H,6-7,9H2,1-2H3,(H2,19,20,21,22)/t10-/m1/s1
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| InChIKey |
MICADBIDLVCIHU-SNVBAGLBSA-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