General Information of the Compound
| Compound ID |
CP0563564
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| Compound Name |
4-[(E)-3-(4-methylsulfanylphenyl)-3-oxoprop-1-enyl]benzoic acid
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| Structure |
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| Formula |
C17H14O3S
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| Molecular Weight |
298.363
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| Canonical SMILES |
CSc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C17H14O3S/c1-21-15-9-7-13(8-10-15)16(18)11-4-12-2-5-14(6-3-12)17(19)20/h2-11H,1H3,(H,19,20)/b11-4+
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| InChIKey |
RYJBGMLJVKGXIT-NYYWCZLTSA-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