General Information of the Compound
| Compound ID |
CP0542188
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| Compound Name |
5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)phenyl)-3,3-dimethylpentanoic acid
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| Structure |
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| Formula |
C25H27ClN2O5
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| Molecular Weight |
470.953
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| Canonical SMILES |
CC(OC(=O)Nc1conc1-c1ccc(CCC(C)(C)CC(O)=O)cc1)c1ccccc1Cl
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| InChI |
InChI=1S/C25H27ClN2O5/c1-16(19-6-4-5-7-20(19)26)33-24(31)27-21-15-32-28-23(21)18-10-8-17(9-11-18)12-13-25(2,3)14-22(29)30/h4-11,15-16H,12-14H2,1-3H3,(H,27,31)(H,29,30)
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| InChIKey |
VCTGKBNGUMRKTK-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