General Information of the Compound
| Compound ID |
CP0511715
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| Compound Name |
2-((E)-3-Hydroxy-2-o-tolyl-propenyl)-4-(thiophen-3-ylmethoxy)-benzonitrile
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| Structure |
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| Formula |
C22H19NO2S
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| Molecular Weight |
361.466
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| Canonical SMILES |
Cc1ccccc1\C(CO)=C/c1cc(OCc2ccsc2)ccc1C#N
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| InChI |
InChI=1S/C22H19NO2S/c1-16-4-2-3-5-22(16)20(13-24)10-19-11-21(7-6-18(19)12-23)25-14-17-8-9-26-15-17/h2-11,15,24H,13-14H2,1H3/b20-10-
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| InChIKey |
CZTBQQKBWRVYAX-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