General Information of the Compound
| Compound ID |
CP0537783
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| Compound Name |
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methyl-7-(4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C25H28N6O2S2
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| Molecular Weight |
508.673
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H28N6O2S2/c1-4-17-13-26-25(27-14-17)31-11-9-19(10-12-31)30(2)24-23-22(28-16-29-24)21(15-34-23)18-5-7-20(8-6-18)35(3,32)33/h5-8,13-16,19H,4,9-12H2,1-3H3
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| InChIKey |
JFGWCHIYEXQLJW-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