General Information of the Compound
| Compound ID |
CP0556065
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| Compound Name |
8-tert-butyl-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-[(5-ethylsulfonylpyridin-2-yl)methylamino]pteridin-7-one
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| Formula |
C26H30N8O4S
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| Molecular Weight |
550.645
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(c2=O)C(C)(C)C)-c2c(OC)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C26H30N8O4S/c1-6-39(36,37)17-10-9-16(27-12-17)11-28-22-25(35)34(26(2,3)4)23-18(32-22)13-29-21(33-23)19-20(15-7-8-15)30-14-31-24(19)38-5/h9-10,12-15H,6-8,11H2,1-5H3,(H,28,32)
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| InChIKey |
XCSNEFALAWPWET-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