General Information of the Compound
| Compound ID |
CP0439982
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| Compound Name |
3-(4-phenylmethoxyphenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C19H18O3
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| Molecular Weight |
294.35
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| Canonical SMILES |
CC#CC(CC(O)=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C19H18O3/c1-2-6-17(13-19(20)21)16-9-11-18(12-10-16)22-14-15-7-4-3-5-8-15/h3-5,7-12,17H,13-14H2,1H3,(H,20,21)
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| InChIKey |
BWNUPVDPQMJAFP-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