General Information of the Compound
| Compound ID |
CP0088960
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| Compound Name |
8-[4-[6-(2-hydroxyphenoxy)sulfonyl-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
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| Structure |
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| Formula |
C32H33NO9S
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| Molecular Weight |
607.681
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| Canonical SMILES |
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccccc1O)c1ccc(O)cc1
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| InChI |
InChI=1S/C32H33NO9S/c34-23-17-13-20(14-18-23)30-26-19-27(43(39,40)42-25-8-6-5-7-24(25)35)32(41-26)31(30)21-11-15-22(16-12-21)33-28(36)9-3-1-2-4-10-29(37)38/h5-8,11-18,26-27,32,34-35H,1-4,9-10,19H2,(H,33,36)(H,37,38)
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| InChIKey |
DLWHGJVATWWUTK-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