General Information of the Compound
| Compound ID |
CP0481444
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| Compound Name |
1-(2-bromo-3-fluorophenyl)-N-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H19BrFN3O3
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| Molecular Weight |
448.292
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| Canonical SMILES |
Fc1cccc(N2CCC(CC2)C(=O)Nc2ccc3OCC(=O)Nc3c2)c1Br
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| InChI |
InChI=1S/C20H19BrFN3O3/c21-19-14(22)2-1-3-16(19)25-8-6-12(7-9-25)20(27)23-13-4-5-17-15(10-13)24-18(26)11-28-17/h1-5,10,12H,6-9,11H2,(H,23,27)(H,24,26)
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| InChIKey |
CAUCBHGCKXUWGO-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