General Information of the Compound
| Compound ID |
CP0253985
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| Compound Name |
8-[4-[3-(4-hydroxyphenyl)-6-[(4-methoxyphenyl)-(2,2,2-trifluoroethyl)sulfamoyl]-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
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| Formula |
C35H37F3N2O8S
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| Molecular Weight |
702.748
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| Canonical SMILES |
COc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1
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| InChI |
InChI=1S/C35H37F3N2O8S/c1-47-27-18-14-25(15-19-27)40(21-35(36,37)38)49(45,46)29-20-28-32(22-10-16-26(41)17-11-22)33(34(29)48-28)23-8-12-24(13-9-23)39-30(42)6-4-2-3-5-7-31(43)44/h8-19,28-29,34,41H,2-7,20-21H2,1H3,(H,39,42)(H,43,44)
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| InChIKey |
JRFNPZUNHIANMN-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