General Information of the Compound
| Compound ID |
CP0421279
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| Compound Name |
(E)-1-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
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| Structure |
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| Formula |
C13H10O2S
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| Molecular Weight |
230.288
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| Canonical SMILES |
Oc1ccc(cc1)C(=O)\C=C\c1cccs1
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| InChI |
InChI=1S/C13H10O2S/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9,14H/b8-7+
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| InChIKey |
SZSNJSQYWPJMKW-BQYQJAHWSA-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