General Information of the Compound
| Compound ID |
CP0393670
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| Compound Name |
3-[5-[[3-(2,6-dimethylphenyl)phenyl]methoxy]thiophen-2-yl]hex-4-ynoic acid
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| Structure |
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| Formula |
C25H24O3S
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| Molecular Weight |
404.531
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| Canonical SMILES |
CC#CC(CC(O)=O)c1ccc(OCc2cccc(c2)-c2c(C)cccc2C)s1
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| InChI |
InChI=1S/C25H24O3S/c1-4-7-20(15-23(26)27)22-12-13-24(29-22)28-16-19-10-6-11-21(14-19)25-17(2)8-5-9-18(25)3/h5-6,8-14,20H,15-16H2,1-3H3,(H,26,27)
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| InChIKey |
IJNJPULJFUPMCE-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