General Information of the Compound
| Compound ID |
CP0554889
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| Compound Name |
(E)-3-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenyl]-2-(3-methoxy-phenyl)-acrylic acid
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| Structure |
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| Formula |
C22H17NO4S
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| Molecular Weight |
391.448
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| Canonical SMILES |
COc1cccc(c1)C(=C/c1cc(OCc2ccsc2)ccc1C#N)\C(O)=O
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| InChI |
InChI=1S/C22H17NO4S/c1-26-19-4-2-3-16(9-19)21(22(24)25)11-18-10-20(6-5-17(18)12-23)27-13-15-7-8-28-14-15/h2-11,14H,13H2,1H3,(H,24,25)/b21-11+
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| InChIKey |
FLXGHTHYVTWHPN-SRZZPIQSSA-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