General Information of the Compound
| Compound ID |
CP0393673
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| Compound Name |
3-cyano-3-[5-[[3-(2,6-dimethylphenyl)phenyl]methoxy]thiophen-2-yl]propanoic acid
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| Structure |
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| Formula |
C23H21NO3S
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| Molecular Weight |
391.492
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2ccc(s2)C(CC(O)=O)C#N)c1
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| InChI |
InChI=1S/C23H21NO3S/c1-15-5-3-6-16(2)23(15)18-8-4-7-17(11-18)14-27-22-10-9-20(28-22)19(13-24)12-21(25)26/h3-11,19H,12,14H2,1-2H3,(H,25,26)
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| InChIKey |
FMFXNNHDCXSAPY-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