General Information of the Compound
| Compound ID |
CP0538416
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| Compound Name |
4-[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophene-2-carbonyl]benzonitrile
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| Structure |
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| Formula |
C22H12FNO2S
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| Molecular Weight |
373.408
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| Canonical SMILES |
Oc1ccc2c(c(sc2c1)C(=O)c1ccc(cc1)C#N)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H12FNO2S/c23-16-7-5-14(6-8-16)20-18-10-9-17(25)11-19(18)27-22(20)21(26)15-3-1-13(12-24)2-4-15/h1-11,25H
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| InChIKey |
YHWQMLAHCQTYQU-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