General Information of the Compound
| Compound ID |
CP0088502
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| Compound Name |
5-(3-methylsulfonylphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C15H12N6O2S3
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| Molecular Weight |
404.502
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| Canonical SMILES |
Cn1nnnc1Sc1ncnc2scc(-c3cccc(c3)S(C)(=O)=O)c12
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| InChI |
InChI=1S/C15H12N6O2S3/c1-21-15(18-19-20-21)25-14-12-11(7-24-13(12)16-8-17-14)9-4-3-5-10(6-9)26(2,22)23/h3-8H,1-2H3
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| InChIKey |
IIEFAIOSYLQBJX-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
Protein ID: PT04727, Huntingtin
Protein ID: PT06124, Paired box protein Pax-8