General Information of the Compound
| Compound ID |
CP0926670
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| Compound Name |
N-(2-Benzoyl-phenyl)-2-[4-(2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide hydrochloride
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| Structure |
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| Formula |
C28H28ClN3O4
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| Molecular Weight |
506.002
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| Canonical SMILES |
Cl.O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccccc1C(=O)c1ccccc1
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| InChI |
InChI=1S/C28H27N3O4.ClH/c32-26(29-24-12-6-5-11-23(24)27(33)20-8-2-1-3-9-20)18-30-16-14-22(15-17-30)31-25-13-7-4-10-21(25)19-35-28(31)34;/h1-13,22H,14-19H2,(H,29,32);1H
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| InChIKey |
PDLBQUKBIFQVPY-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