General Information of the Compound
| Compound ID |
CP0561961
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| Compound Name |
US9434711, 472
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| Structure |
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| Formula |
C22H25N3O4S2
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| Molecular Weight |
459.593
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| Canonical SMILES |
CCCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccc(C\C(N)=N\OC(C)=O)cc1
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| InChI |
InChI=1S/C22H25N3O4S2/c1-3-4-13-25(22-15-18-7-5-6-8-20(18)30-22)31(27,28)19-11-9-17(10-12-19)14-21(23)24-29-16(2)26/h5-12,15H,3-4,13-14H2,1-2H3,(H2,23,24)
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| InChIKey |
STTUWPBZNYFUKS-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