General Information of the Compound
| Compound ID |
CP0395971
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| Compound Name |
3-[4-[(4-phenylphenyl)methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C25H22O3
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| Molecular Weight |
370.448
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| Canonical SMILES |
CC#CC(CC(O)=O)c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C25H22O3/c1-2-6-23(17-25(26)27)22-13-15-24(16-14-22)28-18-19-9-11-21(12-10-19)20-7-4-3-5-8-20/h3-5,7-16,23H,17-18H2,1H3,(H,26,27)
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| InChIKey |
SVSDEDUBFFMJKW-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