General Information of the Compound
| Compound ID |
CP0530288
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| Compound Name |
(E)-3-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenyl]-2-phenyl-acrylic acid
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| Structure |
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| Formula |
C21H15NO3S
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| Molecular Weight |
361.422
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| Canonical SMILES |
OC(=O)C(=C\c1cc(OCc2ccsc2)ccc1C#N)\c1ccccc1
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| InChI |
InChI=1S/C21H15NO3S/c22-12-17-6-7-19(25-13-15-8-9-26-14-15)10-18(17)11-20(21(23)24)16-4-2-1-3-5-16/h1-11,14H,13H2,(H,23,24)/b20-11+
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| InChIKey |
KWCZWDLXVJPKLI-RGVLZGJSSA-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