General Information of the Compound
| Compound ID |
CP0552821
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| Compound Name |
oxan-4-ylmethyl 7-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-3-(oxan-4-ylmethoxy)naphthalene-2-carboxylate
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| Structure |
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| Formula |
C35H45NO7S
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| Molecular Weight |
623.812
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| Canonical SMILES |
CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2cc(OCC3CCOCC3)c(cc2c1)C(=O)OCC1CCOCC1
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| InChI |
InChI=1S/C35H45NO7S/c1-4-26-5-8-31(9-6-26)36(22-25(2)3)44(38,39)32-10-7-29-21-34(42-23-27-11-15-40-16-12-27)33(20-30(29)19-32)35(37)43-24-28-13-17-41-18-14-28/h5-10,19-21,25,27-28H,4,11-18,22-24H2,1-3H3
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| InChIKey |
CKAMCSNFIUTDCW-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