General Information of the Compound
| Compound ID |
CP0558188
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| Compound Name |
US8722896, (+/-)-3-Methyl-3-(benzylamino)- N-(3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C25H34N2O3
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| Molecular Weight |
410.558
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| Canonical SMILES |
CC(C)CN(Cc1ccc2OCCCOc2c1)C(=O)CC(C)NCc1ccccc1
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| InChI |
InChI=1S/C25H34N2O3/c1-19(2)17-27(18-22-10-11-23-24(15-22)30-13-7-12-29-23)25(28)14-20(3)26-16-21-8-5-4-6-9-21/h4-6,8-11,15,19-20,26H,7,12-14,16-18H2,1-3H3
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| InChIKey |
MZXDEHVXSCJFOD-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