General Information of the Compound
| Compound ID |
CP0496054
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| Compound Name |
(3R)-3-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C20H20O4
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| Molecular Weight |
324.376
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| Canonical SMILES |
COc1ccc(COc2ccc(cc2)[C@@H](CC(O)=O)C#CC)cc1
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| InChI |
InChI=1S/C20H20O4/c1-3-4-17(13-20(21)22)16-7-11-19(12-8-16)24-14-15-5-9-18(23-2)10-6-15/h5-12,17H,13-14H2,1-2H3,(H,21,22)/t17-/m1/s1
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| InChIKey |
IKEHFNOEDRBSBK-QGZVFWFLSA-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