General Information of the Compound
| Compound ID |
CP0473505
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| Compound Name |
(7-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C20H23BrFN3O3S
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| Molecular Weight |
484.391
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sc(Br)c3OCCOc23)nc1
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| InChI |
InChI=1S/C20H23BrFN3O3S/c1-13-2-3-14(24-10-13)11-23-12-20(22)4-6-25(7-5-20)19(26)17-15-16(18(21)29-17)28-9-8-27-15/h2-3,10,23H,4-9,11-12H2,1H3
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| InChIKey |
LTEZDPLUBLEGQQ-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