General Information of the Compound
| Compound ID |
CP0962634
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| Compound Name |
3-((4-cyanophenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C15H11NO3
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| Molecular Weight |
253.257
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| Canonical SMILES |
N#Cc1ccc(OCc2cccc(C(=O)O)c2)cc1
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| InChI |
InChI=1S/C15H11NO3/c16-9-11-4-6-14(7-5-11)19-10-12-2-1-3-13(8-12)15(17)18/h1-8H,10H2,(H,17,18)
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| InChIKey |
VDGFDFDUGHYYIZ-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