General Information of the Compound
| Compound ID |
CP0462599
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| Compound Name |
2-fluoroethyl 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 |
C21H24F2N4O5S
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| Molecular Weight |
482.509
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| Canonical SMILES |
CS(=O)(=O)c1ccc(N2CCc3c2ncnc3OC2CCN(CC2)C(=O)OCCF)c(F)c1
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| InChI |
InChI=1S/C21H24F2N4O5S/c1-33(29,30)15-2-3-18(17(23)12-15)27-10-6-16-19(27)24-13-25-20(16)32-14-4-8-26(9-5-14)21(28)31-11-7-22/h2-3,12-14H,4-11H2,1H3
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| InChIKey |
GGKASKLGELROGE-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