General Information of the Compound
| Compound ID |
CP0578796
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| Compound Name |
N-[2-[2-(quinolin-8-ylsulfonylamino)ethyldisulfanyl]ethyl]quinoline-8-sulfonamide
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| Structure |
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| Formula |
C22H22N4O4S4
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| Molecular Weight |
534.71
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| Canonical SMILES |
O=S(=O)(NCCSSCCNS(=O)(=O)c1cccc2cccnc12)c1cccc2cccnc12
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| InChI |
InChI=1S/C22H22N4O4S4/c27-33(28,19-9-1-5-17-7-3-11-23-21(17)19)25-13-15-31-32-16-14-26-34(29,30)20-10-2-6-18-8-4-12-24-22(18)20/h1-12,25-26H,13-16H2
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| InChIKey |
NPEZKTHSFUYYQD-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