General Information of the Compound
| Compound ID |
CP0400367
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| Compound Name |
US9434711, 55
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| Structure |
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| Formula |
C21H16N2O4S2
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| Molecular Weight |
424.503
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1CN(c1cc2ccccc2s1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H16N2O4S2/c24-23(25)19-12-6-4-9-17(19)15-22(29(26,27)18-10-2-1-3-11-18)21-14-16-8-5-7-13-20(16)28-21/h1-14H,15H2
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| InChIKey |
SEIDPXJXAPHANX-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