General Information of the Compound
| Compound ID |
CP0452315
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| Compound Name |
2-[[1-[3-(3,5-dichlorophenyl)phenyl]cyclobutyl]-(2-methoxyphenyl)sulfonylamino]acetic acid
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| Structure |
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| Formula |
C25H23Cl2NO5S
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| Molecular Weight |
520.434
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| Canonical SMILES |
COc1ccccc1S(=O)(=O)N(CC(O)=O)C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C25H23Cl2NO5S/c1-33-22-8-2-3-9-23(22)34(31,32)28(16-24(29)30)25(10-5-11-25)19-7-4-6-17(12-19)18-13-20(26)15-21(27)14-18/h2-4,6-9,12-15H,5,10-11,16H2,1H3,(H,29,30)
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| InChIKey |
UJYRIQWQCNGNNB-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