General Information of the Compound
| Compound ID |
CP0562894
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| Compound Name |
2-[6-(3-fluoro-4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
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| Formula |
C15H11FN2O2S3
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| Molecular Weight |
366.464
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| Canonical SMILES |
CSc1ccc(cc1F)-c1cc2ncnc(SCC(O)=O)c2s1
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| InChI |
InChI=1S/C15H11FN2O2S3/c1-21-11-3-2-8(4-9(11)16)12-5-10-14(23-12)15(18-7-17-10)22-6-13(19)20/h2-5,7H,6H2,1H3,(H,19,20)
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| InChIKey |
MBVVAHWIXVFNDQ-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