General Information of the Compound
| Compound ID |
CP0537782
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| Compound Name |
tert-butyl 4-[7-(4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C23H27N3O5S2
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| Molecular Weight |
489.619
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H27N3O5S2/c1-23(2,3)31-22(27)26-11-9-16(10-12-26)30-21-20-19(24-14-25-21)18(13-32-20)15-5-7-17(8-6-15)33(4,28)29/h5-8,13-14,16H,9-12H2,1-4H3
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| InChIKey |
YTMZMSRAKAJSGL-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