General Information of the Compound
| Compound ID |
CP0450499
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| Compound Name |
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
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| Structure |
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| Formula |
C18H18F3NOS
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| Molecular Weight |
353.409
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| Canonical SMILES |
CC(C)C(=O)N1CCc2sccc2C1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H18F3NOS/c1-11(2)17(23)22-9-7-15-14(8-10-24-15)16(22)12-3-5-13(6-4-12)18(19,20)21/h3-6,8,10-11,16H,7,9H2,1-2H3
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| InChIKey |
GLRWSJVGVRVHFK-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