General Information of the Compound
| Compound ID |
CP0867898
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| Compound Name |
SID89650094
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| Structure |
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| Formula |
C16H12N6OS2
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| Molecular Weight |
368.447
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| Canonical SMILES |
CC(=O)c1ccccc1-c1csc2ncnc(Sc3nnnn3C)c12
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| InChI |
InChI=1S/C16H12N6OS2/c1-9(23)10-5-3-4-6-11(10)12-7-24-14-13(12)15(18-8-17-14)25-16-19-20-21-22(16)2/h3-8H,1-2H3
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| InChIKey |
ZKZSTXBCQNKWMX-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