General Information of the Compound
| Compound ID |
CP0379927
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| Compound Name |
N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
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| Structure |
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| Formula |
C18H21NO4S
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| Molecular Weight |
347.436
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| Canonical SMILES |
Cc1cc(C)c(NS(=O)(=O)c2ccc3OCCCOc3c2)c(C)c1
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| InChI |
InChI=1S/C18H21NO4S/c1-12-9-13(2)18(14(3)10-12)19-24(20,21)15-5-6-16-17(11-15)23-8-4-7-22-16/h5-6,9-11,19H,4,7-8H2,1-3H3
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| InChIKey |
KIOVZCNOKOPXGA-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