General Information of the Compound
| Compound ID |
CP0850666
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| Compound Name |
SID85146197
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| Structure |
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| Formula |
C15H10N6O2S2
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| Molecular Weight |
370.419
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| Canonical SMILES |
Cn1nnnc1Sc1ncnc2scc(-c3ccc4c(c3)OCO4)c12
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| InChI |
InChI=1S/C15H10N6O2S2/c1-21-15(18-19-20-21)25-14-12-9(5-24-13(12)16-6-17-14)8-2-3-10-11(4-8)23-7-22-10/h2-6H,7H2,1H3
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| InChIKey |
TTWDAOGBFIRZMA-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