General Information of the Compound
| Compound ID |
CP0436434
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| Compound Name |
N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
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| Structure |
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| Formula |
C17H19ClN2OS
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| Molecular Weight |
334.872
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| Canonical SMILES |
CCCC1N(CCc2sccc12)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H19ClN2OS/c1-2-3-15-14-9-11-22-16(14)8-10-20(15)17(21)19-13-6-4-12(18)5-7-13/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,19,21)
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| InChIKey |
XOKDLWBHZAUWTH-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