General Information of the Compound
| Compound ID |
CP0410715
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| Compound Name |
N-[2-[(3-chloro-2-fluorophenyl)methylsulfanyl]-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C15H18ClFN4O3S2
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| Molecular Weight |
420.919
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| Canonical SMILES |
C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2cccc(Cl)c2F)n1
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| InChI |
InChI=1S/C15H18ClFN4O3S2/c1-9(7-22)18-12-6-13(21-26(2,23)24)20-15(19-12)25-8-10-4-3-5-11(16)14(10)17/h3-6,9,22H,7-8H2,1-2H3,(H2,18,19,20,21)/t9-/m1/s1
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| InChIKey |
SNCCUTVKNBUBRR-SECBINFHSA-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