General Information of the Compound
| Compound ID |
CP0035055
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| Compound Name |
2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazole-5-carbonitrile
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| Structure |
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| Formula |
C19H14N2O3
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| Molecular Weight |
318.332
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| Canonical SMILES |
O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(o1)C#N
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| InChI |
InChI=1S/C19H14N2O3/c20-12-17-13-21-19(24-17)18(22)11-8-14-6-9-16(10-7-14)23-15-4-2-1-3-5-15/h1-7,9-10,13H,8,11H2
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| InChIKey |
ITSLQBGAWSNDGU-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