General Information of the Compound
| Compound ID |
CP0407114
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| Compound Name |
(E)-2-Benzo[1,3]dioxol-5-yl-3-[2-cyano-5-(thiophen-3-ylmethoxy)-phenyl]-acrylic acid
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| Structure |
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| Formula |
C22H15NO5S
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| Molecular Weight |
405.431
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| Canonical SMILES |
OC(=O)C(=C\c1cc(OCc2ccsc2)ccc1C#N)\c1ccc2OCOc2c1
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| InChI |
InChI=1S/C22H15NO5S/c23-10-16-1-3-18(26-11-14-5-6-29-12-14)7-17(16)8-19(22(24)25)15-2-4-20-21(9-15)28-13-27-20/h1-9,12H,11,13H2,(H,24,25)/b19-8+
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| InChIKey |
GDQDVXMTUXPLTQ-UFWORHAWSA-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