General Information of the Compound
| Compound ID |
CP0572522
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| Compound Name |
8-[4-[6-[benzyl(2,2,2-trifluoroethyl)sulfamoyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
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| Formula |
C35H37F3N2O7S
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| Molecular Weight |
686.749
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| Canonical SMILES |
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccc(O)cc1
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| InChI |
InChI=1S/C35H37F3N2O7S/c36-35(37,38)22-40(21-23-8-4-3-5-9-23)48(45,46)29-20-28-32(24-14-18-27(41)19-15-24)33(34(29)47-28)25-12-16-26(17-13-25)39-30(42)10-6-1-2-7-11-31(43)44/h3-5,8-9,12-19,28-29,34,41H,1-2,6-7,10-11,20-22H2,(H,39,42)(H,43,44)
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| InChIKey |
LPRWMOJRYCIJTB-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