General Information of the Compound
| Compound ID |
CP0417246
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-(benzylamino)- N-(9-bromo-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)- N-isobutylpropanamide
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| Structure |
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| Formula |
C25H33BrN2O3
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| Molecular Weight |
489.454
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| Canonical SMILES |
CC(C)CN(Cc1cc(Br)c2OCCCOc2c1)C(=O)C(C)CNCc1ccccc1
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| InChI |
InChI=1S/C25H33BrN2O3/c1-18(2)16-28(25(29)19(3)14-27-15-20-8-5-4-6-9-20)17-21-12-22(26)24-23(13-21)30-10-7-11-31-24/h4-6,8-9,12-13,18-19,27H,7,10-11,14-17H2,1-3H3
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| InChIKey |
DATMMDGFRNKRJJ-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