General Information of the Compound
| Compound ID |
CP0507182
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| Compound Name |
S-methyl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carbothioate
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| Structure |
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| Formula |
C20H23FN4O4S2
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| Molecular Weight |
466.56
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| Canonical SMILES |
CSC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C20H23FN4O4S2/c1-30-20(26)24-8-5-13(6-9-24)29-19-15-7-10-25(18(15)22-12-23-19)17-4-3-14(11-16(17)21)31(2,27)28/h3-4,11-13H,5-10H2,1-2H3
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| InChIKey |
VUYATNXVIVXEMG-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