General Information of the Compound
| Compound ID |
CP0463259
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| Compound Name |
1-(3-chloro-2-methylphenyl)-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 |
C21H22ClN3O3
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| Molecular Weight |
399.878
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| Canonical SMILES |
Cc1c(Cl)cccc1N1CCC(CC1)C(=O)Nc1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C21H22ClN3O3/c1-13-16(22)3-2-4-18(13)25-9-7-14(8-10-25)21(27)23-15-5-6-19-17(11-15)24-20(26)12-28-19/h2-6,11,14H,7-10,12H2,1H3,(H,23,27)(H,24,26)
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| InChIKey |
KLLSOFGMNWHHBR-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