General Information of the Compound
| Compound ID |
CP0474918
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| Compound Name |
US9434711, 404
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| Structure |
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| Formula |
C19H19NO4S2
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| Molecular Weight |
389.498
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| Canonical SMILES |
CCCN(c1sc2ccccc2c1C)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C19H19NO4S2/c1-3-12-20(18-13(2)16-6-4-5-7-17(16)25-18)26(23,24)15-10-8-14(9-11-15)19(21)22/h4-11H,3,12H2,1-2H3,(H,21,22)
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| InChIKey |
PVPPDFYEOYBGCT-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