General Information of the Compound
| Compound ID |
CP0518447
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| Compound Name |
4-Chloro-3'-((1-oxo-2-propylisoindolin-5-yloxy)methyl)biphenyl-3-carboxylic Acid
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| Structure |
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| Formula |
C25H22ClNO4
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| Molecular Weight |
435.907
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| Canonical SMILES |
CCCN1Cc2cc(OCc3cccc(c3)-c3ccc(Cl)c(c3)C(O)=O)ccc2C1=O
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| InChI |
InChI=1S/C25H22ClNO4/c1-2-10-27-14-19-12-20(7-8-21(19)24(27)28)31-15-16-4-3-5-17(11-16)18-6-9-23(26)22(13-18)25(29)30/h3-9,11-13H,2,10,14-15H2,1H3,(H,29,30)
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| InChIKey |
PPCPRTGTJBOFEI-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