General Information of the Compound
| Compound ID |
CP0398407
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| Compound Name |
2-benzylsulfanyl-6-[[(2R)-1-hydroxypropan-2-yl]amino]-N-methylsulfonylpyrimidine-4-carboxamide
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| Structure |
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| Formula |
C16H20N4O4S2
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| Molecular Weight |
396.494
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| Canonical SMILES |
C[C@H](CO)Nc1cc(nc(SCc2ccccc2)n1)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C16H20N4O4S2/c1-11(9-21)17-14-8-13(15(22)20-26(2,23)24)18-16(19-14)25-10-12-6-4-3-5-7-12/h3-8,11,21H,9-10H2,1-2H3,(H,20,22)(H,17,18,19)/t11-/m1/s1
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| InChIKey |
CNYQIIWCJYZCPD-LLVKDONJSA-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