General Information of the Compound
| Compound ID |
CP0767123
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| Compound Name |
SID89650088
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| Structure |
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| Formula |
C12H8N6S3
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| Molecular Weight |
332.439
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| Canonical SMILES |
Cn1nnnc1Sc1ncnc2scc(-c3ccsc3)c12
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| InChI |
InChI=1S/C12H8N6S3/c1-18-12(15-16-17-18)21-11-9-8(7-2-3-19-4-7)5-20-10(9)13-6-14-11/h2-6H,1H3
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| InChIKey |
DBCSPALPUCNROA-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: PT06109, Geminin
Protein ID: PT04727, Huntingtin
Protein ID: PT06124, Paired box protein Pax-8