General Information of the Compound
| Compound ID |
CP0542844
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| Compound Name |
(E)-3-[2-Bromo-5-(thiophen-3-ylmethoxy)-phenyl]-2-o-tolyl-acrylic acid
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| Structure |
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| Formula |
C21H17BrO3S
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| Molecular Weight |
429.335
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| Canonical SMILES |
Cc1ccccc1\C(=C/c1cc(OCc2ccsc2)ccc1Br)C(O)=O
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| InChI |
InChI=1S/C21H17BrO3S/c1-14-4-2-3-5-18(14)19(21(23)24)11-16-10-17(6-7-20(16)22)25-12-15-8-9-26-13-15/h2-11,13H,12H2,1H3,(H,23,24)/b19-11+
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| InChIKey |
IXMZMOGQGAEBPS-YBFXNURJSA-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