General Information of the Compound
| Compound ID |
CP0453492
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| Compound Name |
2-((E)-3-Hydroxy-2-phenyl-propenyl)-4-(thiophen-3-ylmethoxy)-benzonitrile
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| Structure |
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| Formula |
C21H17NO2S
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| Molecular Weight |
347.439
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| Canonical SMILES |
OC\C(=C\c1cc(OCc2ccsc2)ccc1C#N)c1ccccc1
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| InChI |
InChI=1S/C21H17NO2S/c22-12-18-6-7-21(24-14-16-8-9-25-15-16)11-19(18)10-20(13-23)17-4-2-1-3-5-17/h1-11,15,23H,13-14H2/b20-10-
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| InChIKey |
HGMJFOKLROAGEN-JMIUGGIZSA-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