General Information of the Compound
| Compound ID |
CP0499453
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| Compound Name |
propyl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H27FN4O5S
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| Molecular Weight |
478.546
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| Canonical SMILES |
CCCOC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H27FN4O5S/c1-3-12-31-22(28)26-9-6-15(7-10-26)32-21-17-8-11-27(20(17)24-14-25-21)19-5-4-16(13-18(19)23)33(2,29)30/h4-5,13-15H,3,6-12H2,1-2H3
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| InChIKey |
AYDNCPUQJHOLMO-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