General Information of the Compound
| Compound ID |
CP0871297
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| Compound Name |
N-(4-Chloro-phenyl)-2-[4-(2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide
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| Structure |
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| Formula |
C21H23Cl2N3O3
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| Molecular Weight |
436.339
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| Canonical SMILES |
Cl.O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H22ClN3O3.ClH/c22-16-5-7-17(8-6-16)23-20(26)13-24-11-9-18(10-12-24)25-19-4-2-1-3-15(19)14-28-21(25)27;/h1-8,18H,9-14H2,(H,23,26);1H
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| InChIKey |
VTDZGNYDXGUTEA-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