General Information of the Compound
| Compound ID |
CP0443641
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| Compound Name |
(E)-3-[3'-(6-Morpholin-4-yl-4-oxo-4H-thiopyran-2-yl)-biphenyl-2-yl]-acrylic acid methyl ester
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| Structure |
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| Formula |
C25H23NO4S
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| Molecular Weight |
433.529
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| Canonical SMILES |
COC(=O)\C=C\c1ccccc1-c1cccc(c1)-c1cc(=O)cc(s1)N1CCOCC1
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| InChI |
InChI=1S/C25H23NO4S/c1-29-25(28)10-9-18-5-2-3-8-22(18)19-6-4-7-20(15-19)23-16-21(27)17-24(31-23)26-11-13-30-14-12-26/h2-10,15-17H,11-14H2,1H3/b10-9+
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| InChIKey |
UWOZLXCSAGSXNK-MDZDMXLPSA-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