General Information of the Compound
| Compound ID |
CP0491579
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| Compound Name |
N-(2-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
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| Structure |
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| Formula |
C21H16F4N2OS
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| Molecular Weight |
420.431
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| Canonical SMILES |
Fc1ccccc1NC(=O)N1CCc2sccc2C1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F4N2OS/c22-16-3-1-2-4-17(16)26-20(28)27-11-9-18-15(10-12-29-18)19(27)13-5-7-14(8-6-13)21(23,24)25/h1-8,10,12,19H,9,11H2,(H,26,28)
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| InChIKey |
VZHKEZUUXGWVSZ-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