General Information of the Compound
| Compound ID |
CP0567791
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| Compound Name |
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
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| Formula |
C18H16O2S
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| Molecular Weight |
296.391
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| Canonical SMILES |
CSc1ccc(cc1)C(=O)\C=C\c1ccc2OCCc2c1
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| InChI |
InChI=1S/C18H16O2S/c1-21-16-6-4-14(5-7-16)17(19)8-2-13-3-9-18-15(12-13)10-11-20-18/h2-9,12H,10-11H2,1H3/b8-2+
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| InChIKey |
SYCIWORSGGMZAP-KRXBUXKQSA-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