General Information of the Compound
| Compound ID |
CP0534594
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| Compound Name |
US8722896, (-)-(3R)-1-(2-Ethoxybenzyl)-N- (3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
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| Structure |
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| Formula |
C28H38N2O4
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| Molecular Weight |
466.622
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| Canonical SMILES |
CCOc1ccccc1CN1CCC(C1)C(=O)N(CC(C)C)Cc1ccc2OCCCOc2c1
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| InChI |
InChI=1S/C28H38N2O4/c1-4-32-25-9-6-5-8-23(25)19-29-13-12-24(20-29)28(31)30(17-21(2)3)18-22-10-11-26-27(16-22)34-15-7-14-33-26/h5-6,8-11,16,21,24H,4,7,12-15,17-20H2,1-3H3
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| InChIKey |
DIGXPRWFVSNBJZ-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