General Information of the Compound
| Compound ID |
CP0510945
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| Compound Name |
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
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| Structure |
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| Formula |
C25H26BrN3O3
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| Molecular Weight |
496.405
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| Canonical SMILES |
COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Br)cc5)CC4)C(=O)O3)c2c1
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| InChI |
InChI=1S/C25H26BrN3O3/c1-31-20-6-7-23-22(14-20)21(8-11-27-23)24-16-29(25(30)32-24)19-9-12-28(13-10-19)15-17-2-4-18(26)5-3-17/h2-8,11,14,19,24H,9-10,12-13,15-16H2,1H3
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| InChIKey |
HWCDHOIKZOMDSX-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