General Information of the Compound
| Compound ID |
CP0577430
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| Compound Name |
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-[(5-ethylsulfonylpyridin-2-yl)methylamino]-8-(2-hydroxypropan-2-yl)pteridin-7-one
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| Formula |
C25H28N8O5S
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| Molecular Weight |
552.617
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(c2=O)C(C)(C)O)-c2c(OC)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C25H28N8O5S/c1-5-39(36,37)16-9-8-15(26-11-16)10-27-21-24(34)33(25(2,3)35)22-17(31-21)12-28-20(32-22)18-19(14-6-7-14)29-13-30-23(18)38-4/h8-9,11-14,35H,5-7,10H2,1-4H3,(H,27,31)
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| InChIKey |
XCEWASVJPSBUQN-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