General Information of the Compound
| Compound ID |
CP0563076
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| Compound Name |
8-[4-[3-(4-hydroxyphenyl)-6-[(4-hydroxyphenyl)-methylsulfamoyl]-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
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| Formula |
C33H36N2O8S
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| Molecular Weight |
620.724
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| Canonical SMILES |
CN(c1ccc(O)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1
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| InChI |
InChI=1S/C33H36N2O8S/c1-35(24-14-18-26(37)19-15-24)44(41,42)28-20-27-31(21-10-16-25(36)17-11-21)32(33(28)43-27)22-8-12-23(13-9-22)34-29(38)6-4-2-3-5-7-30(39)40/h8-19,27-28,33,36-37H,2-7,20H2,1H3,(H,34,38)(H,39,40)
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| InChIKey |
MGYWBHIIDZALIQ-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