General Information of the Compound
| Compound ID |
CP0458400
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| Compound Name |
5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxazol-3-yl)phenyl)pentanoic acid
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| Structure |
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| Formula |
C23H23ClN2O5
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| Molecular Weight |
442.899
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| Canonical SMILES |
CC(OC(=O)Nc1conc1-c1ccc(CCCCC(O)=O)cc1)c1ccccc1Cl
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| InChI |
InChI=1S/C23H23ClN2O5/c1-15(18-7-3-4-8-19(18)24)31-23(29)25-20-14-30-26-22(20)17-12-10-16(11-13-17)6-2-5-9-21(27)28/h3-4,7-8,10-15H,2,5-6,9H2,1H3,(H,25,29)(H,27,28)
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| InChIKey |
JXCPADMQNWAIJT-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