General Information of the Compound
| Compound ID |
CP0419725
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| Compound Name |
N-[2-benzylsulfanyl-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]propane-1-sulfonamide
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| Structure |
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| Formula |
C17H24N4O3S2
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| Molecular Weight |
396.538
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| Canonical SMILES |
CCCS(=O)(=O)Nc1cc(N[C@H](C)CO)nc(SCc2ccccc2)n1
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| InChI |
InChI=1S/C17H24N4O3S2/c1-3-9-26(23,24)21-16-10-15(18-13(2)11-22)19-17(20-16)25-12-14-7-5-4-6-8-14/h4-8,10,13,22H,3,9,11-12H2,1-2H3,(H2,18,19,20,21)/t13-/m1/s1
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| InChIKey |
DYORWMSJMOXXEM-CYBMUJFWSA-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