General Information of the Compound
| Compound ID |
CP0413792
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| Compound Name |
US8722896, (+/-)-3-Methyl-3-((2- methoxy)benzylamino)-N- (3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C26H36N2O4
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| Molecular Weight |
440.584
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| Canonical SMILES |
COc1ccccc1CNC(C)CC(=O)N(CC(C)C)Cc1ccc2OCCCOc2c1
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| InChI |
InChI=1S/C26H36N2O4/c1-19(2)17-28(18-21-10-11-24-25(15-21)32-13-7-12-31-24)26(29)14-20(3)27-16-22-8-5-6-9-23(22)30-4/h5-6,8-11,15,19-20,27H,7,12-14,16-18H2,1-4H3
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| InChIKey |
BOOLMJJMQWMHQM-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