General Information of the Compound
| Compound ID |
CP0853421
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| Compound Name |
7-(benzyloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C17H19NO
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| Molecular Weight |
253.345
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| Canonical SMILES |
c1ccc(COc2ccc3c(c2)CCNCC3)cc1
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| InChI |
InChI=1S/C17H19NO/c1-2-4-14(5-3-1)13-19-17-7-6-15-8-10-18-11-9-16(15)12-17/h1-7,12,18H,8-11,13H2
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| InChIKey |
DPRCEQIDVGCQRH-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