General Information of the Compound
| Compound ID |
CP0429654
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-(benzylamino)- N-(3,4-dihydro-2H-1,5- benzodioxepin-7-yl- isopropylpropyl)propanamide
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| Structure |
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| Formula |
C26H36N2O3
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| Molecular Weight |
424.585
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| Canonical SMILES |
CC(C)C(CCc1ccc2OCCCOc2c1)NC(=O)C(C)CNCc1ccccc1
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| InChI |
InChI=1S/C26H36N2O3/c1-19(2)23(12-10-21-11-13-24-25(16-21)31-15-7-14-30-24)28-26(29)20(3)17-27-18-22-8-5-4-6-9-22/h4-6,8-9,11,13,16,19-20,23,27H,7,10,12,14-15,17-18H2,1-3H3,(H,28,29)
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| InChIKey |
YDYGYVQRRINDBI-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