General Information of the Compound
| Compound ID |
CP0403840
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| Compound Name |
(E)-3-[2-Nitro-5-(thiophen-3-ylmethoxy)-phenyl]-2-phenyl-acrylic acid
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| Structure |
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| Formula |
C20H15NO5S
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| Molecular Weight |
381.409
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| Canonical SMILES |
OC(=O)C(=C\c1cc(OCc2ccsc2)ccc1[N+]([O-])=O)\c1ccccc1
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| InChI |
InChI=1S/C20H15NO5S/c22-20(23)18(15-4-2-1-3-5-15)11-16-10-17(6-7-19(16)21(24)25)26-12-14-8-9-27-13-14/h1-11,13H,12H2,(H,22,23)/b18-11+
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| InChIKey |
AGOVSIKFPHYVCX-WOJGMQOQSA-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