General Information of the Compound
| Compound ID |
CP0431844
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| Compound Name |
3-[4-[(3-cyanophenyl)methoxy]phenyl]-3-ethoxypropanoic acid
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| Structure |
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| Formula |
C19H19NO4
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| Molecular Weight |
325.364
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| Canonical SMILES |
CCOC(CC(O)=O)c1ccc(OCc2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C19H19NO4/c1-2-23-18(11-19(21)22)16-6-8-17(9-7-16)24-13-15-5-3-4-14(10-15)12-20/h3-10,18H,2,11,13H2,1H3,(H,21,22)
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| InChIKey |
WOIUQVLDFSAARL-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