General Information of the Compound
| Compound ID |
CP0690364
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| Compound Name |
SID17416047
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| Structure |
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| Formula |
C23H19Br2N3OS2
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| Molecular Weight |
577.367
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| Canonical SMILES |
[O-][S+](Cc1ccc(Br)cc1)Cc1nnc(SCc2ccc(Br)cc2)n1-c1ccccc1
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| InChI |
InChI=1S/C23H19Br2N3OS2/c24-19-10-6-17(7-11-19)14-30-23-27-26-22(28(23)21-4-2-1-3-5-21)16-31(29)15-18-8-12-20(25)13-9-18/h1-13H,14-16H2
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| InChIKey |
PIVRBTOKXKCQBJ-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: PT06172, Mothers against decapentaplegic homolog 3