General Information of the Compound
| Compound ID |
CP0387144
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| Compound Name |
2-benzylsulfanyl-4-(dimethylsulfamoylamino)-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidine
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| Structure |
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| Formula |
C16H23N5O3S2
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| Molecular Weight |
397.526
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| Canonical SMILES |
C[C@H](CO)Nc1cc(NS(=O)(=O)N(C)C)nc(SCc2ccccc2)n1
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| InChI |
InChI=1S/C16H23N5O3S2/c1-12(10-22)17-14-9-15(20-26(23,24)21(2)3)19-16(18-14)25-11-13-7-5-4-6-8-13/h4-9,12,22H,10-11H2,1-3H3,(H2,17,18,19,20)/t12-/m1/s1
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| InChIKey |
DDXLDICGEKWGSY-GFCCVEGCSA-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