General Information of the Compound
| Compound ID |
CP0413968
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-amino-N-(3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C18H28N2O3
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| Molecular Weight |
320.433
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| Canonical SMILES |
CC(C)CN(Cc1ccc2OCCCOc2c1)C(=O)C(C)CN
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| InChI |
InChI=1S/C18H28N2O3/c1-13(2)11-20(18(21)14(3)10-19)12-15-5-6-16-17(9-15)23-8-4-7-22-16/h5-6,9,13-14H,4,7-8,10-12,19H2,1-3H3
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| InChIKey |
GRCPJIRMBSANEZ-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