General Information of the Compound
| Compound ID |
CP0377068
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| Compound Name |
2-(3-Methoxy-phenyl)-N-{1-[3-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-(propyl]-piperidin-4-yl}-acetamide
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| Structure |
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| Formula |
C25H31N3O4
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| Molecular Weight |
437.54
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| Canonical SMILES |
COc1cccc(CC(=O)NC2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1
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| InChI |
InChI=1S/C25H31N3O4/c1-31-21-7-4-6-19(16-21)17-24(29)26-20-10-14-27(15-11-20)12-5-13-28-22-8-2-3-9-23(22)32-18-25(28)30/h2-4,6-9,16,20H,5,10-15,17-18H2,1H3,(H,26,29)
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| InChIKey |
PQBNTIOMKCBFPA-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