General Information of the Compound
| Compound ID |
CP0419571
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| Compound Name |
4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-7-(4-methylsulfonylphenyl)thieno[3,2-d]pyrimidine
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| Structure |
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| Formula |
C24H25N5O3S2
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| Molecular Weight |
495.63
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)Oc1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H25N5O3S2/c1-3-16-12-25-24(26-13-16)29-10-8-18(9-11-29)32-23-22-21(27-15-28-23)20(14-33-22)17-4-6-19(7-5-17)34(2,30)31/h4-7,12-15,18H,3,8-11H2,1-2H3
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| InChIKey |
JQJKHAKETYLWAA-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