General Information of the Compound
| Compound ID |
CP0441814
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| Compound Name |
propan-2-yl 4-[[7-(3-fluoro-4-methylsulfanylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H27FN4O3S
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| Molecular Weight |
446.548
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| Canonical SMILES |
CSc1ccc(cc1F)N1CCc2c1ncnc2OC1CCN(CC1)C(=O)OC(C)C
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| InChI |
InChI=1S/C22H27FN4O3S/c1-14(2)29-22(28)26-9-6-16(7-10-26)30-21-17-8-11-27(20(17)24-13-25-21)15-4-5-19(31-3)18(23)12-15/h4-5,12-14,16H,6-11H2,1-3H3
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| InChIKey |
JYXXXSZLUUVWRR-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