General Information of the Compound
| Compound ID |
CP0500066
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| Compound Name |
3-[4-[(2-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(OCc2ccccc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C25H22O3/c1-2-8-21(17-25(26)27)19-13-15-23(16-14-19)28-18-22-11-6-7-12-24(22)20-9-4-3-5-10-20/h3-7,9-16,21H,17-18H2,1H3,(H,26,27)
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| InChIKey |
RLQJGINCIVPNFB-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