General Information of the Compound
| Compound ID |
CP0516790
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| Compound Name |
US9434711, 539
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| Structure |
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| Formula |
C20H21N5O2S2
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| Molecular Weight |
427.555
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| Canonical SMILES |
CCCCN(c1sc2ccccc2c1C)S(=O)(=O)c1ccc(cc1)-c1nnn[nH]1
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| InChI |
InChI=1S/C20H21N5O2S2/c1-3-4-13-25(20-14(2)17-7-5-6-8-18(17)28-20)29(26,27)16-11-9-15(10-12-16)19-21-23-24-22-19/h5-12H,3-4,13H2,1-2H3,(H,21,22,23,24)
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| InChIKey |
CPXWTCYCJLYMSB-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