General Information of the Compound
| Compound ID |
CP0466392
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| Compound Name |
2-[6-(4-propan-2-ylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
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| Formula |
C17H16N2O2S2
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| Molecular Weight |
344.461
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
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| InChI |
InChI=1S/C17H16N2O2S2/c1-10(2)11-3-5-12(6-4-11)14-7-13-16(23-14)17(19-9-18-13)22-8-15(20)21/h3-7,9-10H,8H2,1-2H3,(H,20,21)
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| InChIKey |
HFBSMDMONSBYHP-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