General Information of the Compound
| Compound ID |
CP0488561
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| Compound Name |
US9434711, 51
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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)c1cccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C21H16N2O4S2/c24-23(25)18-9-6-7-16(13-18)15-22(29(26,27)19-10-2-1-3-11-19)21-14-17-8-4-5-12-20(17)28-21/h1-14H,15H2
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| InChIKey |
IFGYVZJTKLOPQF-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