General Information of the Compound
| Compound ID |
CP0580017
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| Compound Name |
N-(4-ethylphenyl)-7-(hydroxymethyl)-N-(2-methylpropyl)-6-(oxan-4-ylmethoxy)naphthalene-2-sulfonamide
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| Structure |
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| Formula |
C29H37NO5S
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| Molecular Weight |
511.684
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2cc(OCC3CCOCC3)c(CO)cc2c1
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| InChI |
InChI=1S/C29H37NO5S/c1-4-22-5-8-27(9-6-22)30(18-21(2)3)36(32,33)28-10-7-24-17-29(26(19-31)15-25(24)16-28)35-20-23-11-13-34-14-12-23/h5-10,15-17,21,23,31H,4,11-14,18-20H2,1-3H3
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| InChIKey |
FDEBRMXUKNTQCS-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