General Information of the Compound
| Compound ID |
CP0413992
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| Compound Name |
[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]-(4-hydroxyphenyl)methanone
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| Structure |
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| Formula |
C21H13FO3S
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| Molecular Weight |
364.397
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| Canonical SMILES |
Oc1ccc(cc1)C(=O)c1sc2cc(O)ccc2c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H13FO3S/c22-14-5-1-12(2-6-14)19-17-10-9-16(24)11-18(17)26-21(19)20(25)13-3-7-15(23)8-4-13/h1-11,23-24H
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| InChIKey |
OFXGEPSXIVRDOT-UHFFFAOYSA-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