General Information of the Compound
| Compound ID |
CP0554532
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| Compound Name |
1-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C21H23N3O3
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| Molecular Weight |
365.433
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| Canonical SMILES |
Cc1ccccc1N1CCC(CC1)C(=O)Nc1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C21H23N3O3/c1-14-4-2-3-5-18(14)24-10-8-15(9-11-24)21(26)22-16-6-7-19-17(12-16)23-20(25)13-27-19/h2-7,12,15H,8-11,13H2,1H3,(H,22,26)(H,23,25)
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| InChIKey |
PTLKLRUAHYFNGA-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