General Information of the Compound
| Compound ID |
CP0558864
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| Compound Name |
6-[(5-ethylsulfonylpyridin-2-yl)methylamino]-8-propan-2-yl-2-pyrimidin-5-ylpteridin-7-one
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| Formula |
C21H22N8O3S
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| Molecular Weight |
466.527
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2cncnc2)nc1
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| InChI |
InChI=1S/C21H22N8O3S/c1-4-33(31,32)16-6-5-15(24-10-16)9-25-19-21(30)29(13(2)3)20-17(27-19)11-26-18(28-20)14-7-22-12-23-8-14/h5-8,10-13H,4,9H2,1-3H3,(H,25,27)
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| InChIKey |
GNQIYLLYSLCKHB-UHFFFAOYSA-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