General Information of the Compound
| Compound ID |
CP0388856
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| Compound Name |
N-[2-benzylsulfanyl-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]-1-phenylmethanesulfonamide
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| Structure |
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| Formula |
C21H24N4O3S2
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| Molecular Weight |
444.582
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| Canonical SMILES |
C[C@H](CO)Nc1cc(NS(=O)(=O)Cc2ccccc2)nc(SCc2ccccc2)n1
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| InChI |
InChI=1S/C21H24N4O3S2/c1-16(13-26)22-19-12-20(25-30(27,28)15-18-10-6-3-7-11-18)24-21(23-19)29-14-17-8-4-2-5-9-17/h2-12,16,26H,13-15H2,1H3,(H2,22,23,24,25)/t16-/m1/s1
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| InChIKey |
RWKCBMYEKIDCDN-MRXNPFEDSA-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