General Information of the Compound
| Compound ID |
CP0454756
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| Compound Name |
(4-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
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| Structure |
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| Formula |
C21H15F4NOS
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| Molecular Weight |
405.416
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N1CCc2sccc2C1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H15F4NOS/c22-16-7-3-14(4-8-16)20(27)26-11-9-18-17(10-12-28-18)19(26)13-1-5-15(6-2-13)21(23,24)25/h1-8,10,12,19H,9,11H2
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| InChIKey |
IRUGXYXZAWUWES-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