General Information of the Compound
| Compound ID |
CP0550863
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| Compound Name |
US8722896, (+/-)-1-Benzyl-N-(3,4-dihydro- 2H-1,5-benzodioxepin-7-yl- isopropyl-propyl)-pyrrolidine- 3-carboxamide
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| Structure |
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| Formula |
C27H36N2O3
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| Molecular Weight |
436.596
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| Canonical SMILES |
CC(C)C(CCc1ccc2OCCCOc2c1)NC(=O)C1CCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C27H36N2O3/c1-20(2)24(11-9-21-10-12-25-26(17-21)32-16-6-15-31-25)28-27(30)23-13-14-29(19-23)18-22-7-4-3-5-8-22/h3-5,7-8,10,12,17,20,23-24H,6,9,11,13-16,18-19H2,1-2H3,(H,28,30)
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| InChIKey |
UXAKXWYQKQCQIX-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