General Information of the Compound
| Compound ID |
CP0853763
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| Compound Name |
N-(4-Benzoyl-phenyl)-2-[4-(8-methyl-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide
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| Structure |
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| Formula |
C29H30ClN3O4
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| Molecular Weight |
520.029
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| Canonical SMILES |
Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC1)C(=O)OC2.Cl
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| InChI |
InChI=1S/C29H29N3O4.ClH/c1-20-6-5-9-23-19-36-29(35)32(27(20)23)25-14-16-31(17-15-25)18-26(33)30-24-12-10-22(11-13-24)28(34)21-7-3-2-4-8-21;/h2-13,25H,14-19H2,1H3,(H,30,33);1H
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| InChIKey |
PSEZXGPTQSCJJG-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