General Information of the Compound
| Compound ID |
CP0253984
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| Compound Name |
8-[4-[3-(4-hydroxyphenyl)-6-[phenyl(2,2,2-trifluoroethyl)sulfamoyl]-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
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| Formula |
C34H35F3N2O7S
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| Molecular Weight |
672.722
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| Canonical SMILES |
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)N(CC(F)(F)F)c1ccccc1)c1ccc(O)cc1
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| InChI |
InChI=1S/C34H35F3N2O7S/c35-34(36,37)21-39(25-8-4-3-5-9-25)47(44,45)28-20-27-31(22-14-18-26(40)19-15-22)32(33(28)46-27)23-12-16-24(17-13-23)38-29(41)10-6-1-2-7-11-30(42)43/h3-5,8-9,12-19,27-28,33,40H,1-2,6-7,10-11,20-21H2,(H,38,41)(H,42,43)
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| InChIKey |
FBNIQANOMUQHTG-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