General Information of the Compound
| Compound ID |
CP0035054
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| Compound Name |
2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazole-5-carbonitrile
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| Structure |
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| Formula |
C20H16N2O3
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| Molecular Weight |
332.359
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| Canonical SMILES |
O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)C#N
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| InChI |
InChI=1S/C20H16N2O3/c21-12-18-13-22-20(25-18)19(23)11-10-15-6-8-16(9-7-15)14-24-17-4-2-1-3-5-17/h1-9,13H,10-11,14H2
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| InChIKey |
VYTMHGLYHLPDFE-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