General Information of the Compound
| Compound ID |
CP0542963
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| Compound Name |
methyl 7-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-3-(oxan-4-ylmethoxy)naphthalene-2-carboxylate
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| Structure |
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| Formula |
C30H37NO6S
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| Molecular Weight |
539.694
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2cc(OCC3CCOCC3)c(cc2c1)C(=O)OC
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| InChI |
InChI=1S/C30H37NO6S/c1-5-22-6-9-26(10-7-22)31(19-21(2)3)38(33,34)27-11-8-24-18-29(37-20-23-12-14-36-15-13-23)28(30(32)35-4)17-25(24)16-27/h6-11,16-18,21,23H,5,12-15,19-20H2,1-4H3
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| InChIKey |
HIZVLFFVGKLNNL-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