General Information of the Compound
| Compound ID |
CP0264430
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| Compound Name |
(4-ethynylphenyl)-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]methanone
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| Structure |
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| Formula |
C23H13FO2S
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| Molecular Weight |
372.42
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| Canonical SMILES |
Oc1ccc2c(c(sc2c1)C(=O)c1ccc(cc1)C#C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H13FO2S/c1-2-14-3-5-16(6-4-14)22(26)23-21(15-7-9-17(24)10-8-15)19-12-11-18(25)13-20(19)27-23/h1,3-13,25H
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| InChIKey |
HBTGAERHCAWPBD-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