General Information of the Compound
| Compound ID |
CP0543162
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| Compound Name |
N-[2-benzylsulfanyl-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-4-chlorobenzenesulfonamide
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| Structure |
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| Formula |
C20H21ClN4O3S2
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| Molecular Weight |
465
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| Canonical SMILES |
C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2)nc(SCc2ccccc2)n1
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| InChI |
InChI=1S/C20H21ClN4O3S2/c1-14(12-26)22-18-11-19(25-30(27,28)17-9-7-16(21)8-10-17)24-20(23-18)29-13-15-5-3-2-4-6-15/h2-11,14,26H,12-13H2,1H3,(H2,22,23,24,25)/t14-/m1/s1
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| InChIKey |
TUZMICWGRDDLHJ-CQSZACIVSA-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