General Information of the Compound
| Compound ID |
CP0850665
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| Compound Name |
SID89650069
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| Structure |
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| Formula |
C14H9BrN6S2
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| Molecular Weight |
405.306
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| Canonical SMILES |
Cn1nnnc1Sc1ncnc2scc(-c3ccc(Br)cc3)c12
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| InChI |
InChI=1S/C14H9BrN6S2/c1-21-14(18-19-20-21)23-13-11-10(6-22-12(11)16-7-17-13)8-2-4-9(15)5-3-8/h2-7H,1H3
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| InChIKey |
OYFRFXHZWLMGDU-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