General Information of the Compound
| Compound ID |
CP0484642
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| Compound Name |
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-[(5-ethylsulfonylpyridin-2-yl)methylamino]-8-phenylpteridin-7-one
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| Formula |
C28H26N8O4S
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| Molecular Weight |
570.635
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(-c3ccccc3)c2=O)-c2c(OC)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C28H26N8O4S/c1-3-41(38,39)20-12-11-18(29-14-20)13-30-25-28(37)36(19-7-5-4-6-8-19)26-21(34-25)15-31-24(35-26)22-23(17-9-10-17)32-16-33-27(22)40-2/h4-8,11-12,14-17H,3,9-10,13H2,1-2H3,(H,30,34)
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| InChIKey |
JOAZTCUVUWUDSL-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