General Information of the Compound
| Compound ID |
CP0136672
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| Compound Name |
2-[6-(3-acetamidophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
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| Formula |
C16H13N3O3S2
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| Molecular Weight |
359.432
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)-c1cc2ncnc(SCC(O)=O)c2s1
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| InChI |
InChI=1S/C16H13N3O3S2/c1-9(20)19-11-4-2-3-10(5-11)13-6-12-15(24-13)16(18-8-17-12)23-7-14(21)22/h2-6,8H,7H2,1H3,(H,19,20)(H,21,22)
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| InChIKey |
QITKDVLQZKEZLA-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