General Information of the Compound
| Compound ID |
CP0462747
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| Compound Name |
US8722896, (-)-(3R)-N-(3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutyl-1-(pyridin-3-ylmethyl) piperidine-3-carboxamide
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| Structure |
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| Formula |
C26H35N3O3
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| Molecular Weight |
437.584
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| Canonical SMILES |
CC(C)CN(Cc1ccc2OCCCOc2c1)C(=O)C1CCCN(Cc2cccnc2)C1
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| InChI |
InChI=1S/C26H35N3O3/c1-20(2)16-29(18-21-8-9-24-25(14-21)32-13-5-12-31-24)26(30)23-7-4-11-28(19-23)17-22-6-3-10-27-15-22/h3,6,8-10,14-15,20,23H,4-5,7,11-13,16-19H2,1-2H3
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| InChIKey |
NLSOUUVAHGXXMO-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