General Information of the Compound
| Compound ID |
CP0542349
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| Compound Name |
2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
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| Structure |
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| Formula |
C22H17F4NOS
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| Molecular Weight |
419.443
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| Canonical SMILES |
Fc1ccc(CC(=O)N2CCc3sccc3C2c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H17F4NOS/c23-17-7-1-14(2-8-17)13-20(28)27-11-9-19-18(10-12-29-19)21(27)15-3-5-16(6-4-15)22(24,25)26/h1-8,10,12,21H,9,11,13H2
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| InChIKey |
YUWGYSIVEABLIX-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