General Information of the Compound
| Compound ID |
CP0951378
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| Compound Name |
7-(benzyloxy)-3-isopropyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C20H25NO
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| Molecular Weight |
295.426
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| Canonical SMILES |
CC(C)N1CCc2ccc(OCc3ccccc3)cc2CC1
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| InChI |
InChI=1S/C20H25NO/c1-16(2)21-12-10-18-8-9-20(14-19(18)11-13-21)22-15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
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| InChIKey |
IQMLRBCRTHOESS-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