General Information of the Compound
| Compound ID |
CP0159061
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| Compound Name |
[2-(4-chlorophenyl)-6-hydroxy-1-benzothiophen-3-yl]-[4-(trifluoromethyl)phenyl]methanone
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| Structure |
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| Formula |
C22H12ClF3O2S
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| Molecular Weight |
432.85
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| Canonical SMILES |
Oc1ccc2c(C(=O)c3ccc(cc3)C(F)(F)F)c(sc2c1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H12ClF3O2S/c23-15-7-3-13(4-8-15)21-19(17-10-9-16(27)11-18(17)29-21)20(28)12-1-5-14(6-2-12)22(24,25)26/h1-11,27H
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| InChIKey |
IHWIPQOMCHCLQX-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