General Information of the Compound
| Compound ID |
CP0574678
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| Compound Name |
N-[5-cyano-2-[(2,3-difluorophenyl)methylsulfanyl]-6-phenylpyrimidin-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C19H14F2N4O2S2
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| Molecular Weight |
432.477
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| Canonical SMILES |
CS(=O)(=O)Nc1nc(SCc2cccc(F)c2F)nc(-c2ccccc2)c1C#N
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| InChI |
InChI=1S/C19H14F2N4O2S2/c1-29(26,27)25-18-14(10-22)17(12-6-3-2-4-7-12)23-19(24-18)28-11-13-8-5-9-15(20)16(13)21/h2-9H,11H2,1H3,(H,23,24,25)
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| InChIKey |
VEIJYXBZJLBHIO-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