General Information of the Compound
| Compound ID |
CP0944739
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| Compound Name |
3-((2-(cyanomethyl)phenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C16H13NO3
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| Molecular Weight |
267.284
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| Canonical SMILES |
N#CCc1ccccc1OCc1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C16H13NO3/c17-9-8-13-5-1-2-7-15(13)20-11-12-4-3-6-14(10-12)16(18)19/h1-7,10H,8,11H2,(H,18,19)
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| InChIKey |
GGPKECKWTOYAQE-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