General Information of the Compound
| Compound ID |
CP0549436
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| Compound Name |
5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
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| Structure |
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| Formula |
C18H20F3NS
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| Molecular Weight |
339.426
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| Canonical SMILES |
CC(C)CN1CCc2sccc2C1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H20F3NS/c1-12(2)11-22-9-7-16-15(8-10-23-16)17(22)13-3-5-14(6-4-13)18(19,20)21/h3-6,8,10,12,17H,7,9,11H2,1-2H3
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| InChIKey |
FXJIMUOQXGWOMU-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