General Information of the Compound
| Compound ID |
CP0558361
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| Compound Name |
US8722896, (-)-(3R)-1-(3-acetoxybenzyl)- N-(9-chloro-3,4-dihydro-2H- 1,5-benzodioxepin-7- ylmethyl)-N- isobutylpiperidine-3- carboxamide
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| Structure |
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| Formula |
C29H37ClN2O5
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| Molecular Weight |
529.077
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCCN(Cc2cccc(OC(C)=O)c2)C1
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| InChI |
InChI=1S/C29H37ClN2O5/c1-20(2)16-32(18-23-14-26(30)28-27(15-23)35-11-6-12-36-28)29(34)24-8-5-10-31(19-24)17-22-7-4-9-25(13-22)37-21(3)33/h4,7,9,13-15,20,24H,5-6,8,10-12,16-19H2,1-3H3
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| InChIKey |
VICCPXIMFPISQJ-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