General Information of the Compound
| Compound ID |
CP0869625
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| Compound Name |
2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-N-(4-phenoxy-phenyl)-acetamide
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| Structure |
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| Formula |
C27H27Cl2N3O4
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| Molecular Weight |
528.436
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| Canonical SMILES |
Cl.O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C27H26ClN3O4.ClH/c28-20-6-11-25-19(16-20)18-34-27(33)31(25)22-12-14-30(15-13-22)17-26(32)29-21-7-9-24(10-8-21)35-23-4-2-1-3-5-23;/h1-11,16,22H,12-15,17-18H2,(H,29,32);1H
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| InChIKey |
IFAPUCAQCWHLBX-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