General Information of the Compound
| Compound ID |
CP0535817
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| Compound Name |
US9434711, 449
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| Structure |
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| Formula |
C19H19N5O2S2
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| Molecular Weight |
413.528
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| Canonical SMILES |
CCCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccc(cc1)-c1nnn[nH]1
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| InChI |
InChI=1S/C19H19N5O2S2/c1-2-3-12-24(18-13-15-6-4-5-7-17(15)27-18)28(25,26)16-10-8-14(9-11-16)19-20-22-23-21-19/h4-11,13H,2-3,12H2,1H3,(H,20,21,22,23)
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| InChIKey |
ASTPHWOUKGHEQU-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