General Information of the Compound
| Compound ID |
CP0576569
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| Compound Name |
7-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-3-(oxan-4-ylmethoxy)naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C29H35NO6S
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| Molecular Weight |
525.667
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2cc(OCC3CCOCC3)c(cc2c1)C(O)=O
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| InChI |
InChI=1S/C29H35NO6S/c1-4-21-5-8-25(9-6-21)30(18-20(2)3)37(33,34)26-10-7-23-17-28(27(29(31)32)16-24(23)15-26)36-19-22-11-13-35-14-12-22/h5-10,15-17,20,22H,4,11-14,18-19H2,1-3H3,(H,31,32)
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| InChIKey |
GXTOJUZYZXCTBF-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