General Information of the Compound
| Compound ID |
CP0374234
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| Compound Name |
(3-bromothiophen-2-yl)(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C18H21BrFN3OS
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| Molecular Weight |
426.355
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sccc2Br)nc1
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| InChI |
InChI=1S/C18H21BrFN3OS/c1-13-2-3-14(22-10-13)11-21-12-18(20)5-7-23(8-6-18)17(24)16-15(19)4-9-25-16/h2-4,9-10,21H,5-8,11-12H2,1H3
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| InChIKey |
LPFXKFRCAYCTBG-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