General Information of the Compound
| Compound ID |
CP0389493
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| Compound Name |
S-ethyl 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 |
C21H25FN4O4S2
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| Molecular Weight |
480.587
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| Canonical SMILES |
CCSC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C21H25FN4O4S2/c1-3-31-21(27)25-9-6-14(7-10-25)30-20-16-8-11-26(19(16)23-13-24-20)18-5-4-15(12-17(18)22)32(2,28)29/h4-5,12-14H,3,6-11H2,1-2H3
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| InChIKey |
NIYMQIABTQSNEX-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