General Information of the Compound
| Compound ID |
CP0301323
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| Compound Name |
8-[4-[6-[ethyl(phenyl)sulfamoyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
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| Formula |
C34H38N2O7S
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| Molecular Weight |
618.752
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| Canonical SMILES |
CCN(c1ccccc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1
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| InChI |
InChI=1S/C34H38N2O7S/c1-2-36(26-10-6-5-7-11-26)44(41,42)29-22-28-32(23-16-20-27(37)21-17-23)33(34(29)43-28)24-14-18-25(19-15-24)35-30(38)12-8-3-4-9-13-31(39)40/h5-7,10-11,14-21,28-29,34,37H,2-4,8-9,12-13,22H2,1H3,(H,35,38)(H,39,40)
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| InChIKey |
QEJNJIFNEZVYAP-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