General Information of the Compound
| Compound ID |
CP0398736
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| Compound Name |
N-[2-benzylsulfanyl-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-4-cyanobenzenesulfonamide
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| Structure |
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| Formula |
C21H21N5O3S2
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| Molecular Weight |
455.565
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| Canonical SMILES |
C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(cc2)C#N)nc(SCc2ccccc2)n1
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| InChI |
InChI=1S/C21H21N5O3S2/c1-15(13-27)23-19-11-20(25-21(24-19)30-14-17-5-3-2-4-6-17)26-31(28,29)18-9-7-16(12-22)8-10-18/h2-11,15,27H,13-14H2,1H3,(H2,23,24,25,26)/t15-/m1/s1
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| InChIKey |
TWUUERRYOWEYOJ-OAHLLOKOSA-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