General Information of the Compound
| Compound ID |
CP0563035
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| Compound Name |
8-[4-[3-(4-hydroxyphenyl)-6-[methyl(phenyl)sulfamoyl]-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
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| Formula |
C33H36N2O7S
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| Molecular Weight |
604.725
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| Canonical SMILES |
CN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1
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| InChI |
InChI=1S/C33H36N2O7S/c1-35(25-9-5-4-6-10-25)43(40,41)28-21-27-31(22-15-19-26(36)20-16-22)32(33(28)42-27)23-13-17-24(18-14-23)34-29(37)11-7-2-3-8-12-30(38)39/h4-6,9-10,13-20,27-28,33,36H,2-3,7-8,11-12,21H2,1H3,(H,34,37)(H,38,39)
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| InChIKey |
PUNAPFWMGAHRRV-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