General Information of the Compound
| Compound ID |
CP0503572
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| Compound Name |
2-(2-methyl-4-((1-(phenylcarbamoyl)isoindolin-2-yl)methyl)phenoxy)acetic acid
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| Structure |
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| Formula |
C25H24N2O4
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| Molecular Weight |
416.477
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| Canonical SMILES |
Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccccc2)ccc1OCC(O)=O
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| InChI |
InChI=1S/C25H24N2O4/c1-17-13-18(11-12-22(17)31-16-23(28)29)14-27-15-19-7-5-6-10-21(19)24(27)25(30)26-20-8-3-2-4-9-20/h2-13,24H,14-16H2,1H3,(H,26,30)(H,28,29)
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| InChIKey |
BAKWHMVZRMLABP-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