General Information of the Compound
| Compound ID |
CP0403147
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| Compound Name |
2-[5-(1,3-benzoxazol-5-ylmethoxy)-2-cyanophenoxy]-2-(2-methylphenyl)acetic acid
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| Structure |
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| Formula |
C24H18N2O5
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| Molecular Weight |
414.417
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| Canonical SMILES |
Cc1ccccc1C(Oc1cc(OCc2ccc3ocnc3c2)ccc1C#N)C(O)=O
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| InChI |
InChI=1S/C24H18N2O5/c1-15-4-2-3-5-19(15)23(24(27)28)31-22-11-18(8-7-17(22)12-25)29-13-16-6-9-21-20(10-16)26-14-30-21/h2-11,14,23H,13H2,1H3,(H,27,28)
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| InChIKey |
TVEOFFBXIGATIA-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