General Information of the Compound
| Compound ID |
CP0507151
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| Compound Name |
ethyl 5-[(4-tert-butylphenyl)sulfonylamino]-3-methyl-1-benzofuran-2-carboxylate
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| Structure |
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| Formula |
C22H25NO5S
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| Molecular Weight |
415.511
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| Canonical SMILES |
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2c1C
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| InChI |
InChI=1S/C22H25NO5S/c1-6-27-21(24)20-14(2)18-13-16(9-12-19(18)28-20)23-29(25,26)17-10-7-15(8-11-17)22(3,4)5/h7-13,23H,6H2,1-5H3
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| InChIKey |
DLVRSHUWXIZVKC-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