General Information of the Compound
| Compound ID |
CP0853424
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| Compound Name |
7-(benzyloxy)-3-isobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C21H27NO
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| Molecular Weight |
309.453
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| Canonical SMILES |
CC(C)CN1CCc2ccc(OCc3ccccc3)cc2CC1
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| InChI |
InChI=1S/C21H27NO/c1-17(2)15-22-12-10-19-8-9-21(14-20(19)11-13-22)23-16-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3
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| InChIKey |
MUNIRXMXIZQSSD-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