General Information of the Compound
| Compound ID |
CP0474919
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| Compound Name |
US9434711, 423
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| Structure |
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| Formula |
C20H21NO5S2
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| Molecular Weight |
419.524
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| Canonical SMILES |
CCCCN(c1sc2ccccc2c1OC)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C20H21NO5S2/c1-3-4-13-21(19-18(26-2)16-7-5-6-8-17(16)27-19)28(24,25)15-11-9-14(10-12-15)20(22)23/h5-12H,3-4,13H2,1-2H3,(H,22,23)
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| InChIKey |
XEHSOAJUOMTIEW-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