General Information of the Compound
| Compound ID |
CP0914844
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| Compound Name |
N-(4-Acetyl-phenyl)-2-[4-(6-chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide
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| Structure |
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| Formula |
C23H25Cl2N3O4
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| Molecular Weight |
478.376
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| Canonical SMILES |
CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1.Cl
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| InChI |
InChI=1S/C23H24ClN3O4.ClH/c1-15(28)16-2-5-19(6-3-16)25-22(29)13-26-10-8-20(9-11-26)27-21-7-4-18(24)12-17(21)14-31-23(27)30;/h2-7,12,20H,8-11,13-14H2,1H3,(H,25,29);1H
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| InChIKey |
XVMLLYBKEJLPDK-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