General Information of the Compound
| Compound ID |
CP0245521
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| Compound Name |
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
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| Structure |
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| Formula |
C22H19N3O4S2
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| Molecular Weight |
453.545
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| Canonical SMILES |
CCOc1ccc2nc(NS(=O)(=O)c3ccc4N(CC)C(=O)c5cccc3c45)sc2c1
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| InChI |
InChI=1S/C22H19N3O4S2/c1-3-25-17-10-11-19(14-6-5-7-15(20(14)17)21(25)26)31(27,28)24-22-23-16-9-8-13(29-4-2)12-18(16)30-22/h5-12H,3-4H2,1-2H3,(H,23,24)
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| InChIKey |
UVWMXCVDTUHBFA-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