General Information of the Compound
| Compound ID |
CP0928455
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| Compound Name |
7-(benzyloxy)-3-cyclopropyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C20H23NO
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| Molecular Weight |
293.41
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| Canonical SMILES |
c1ccc(COc2ccc3c(c2)CCN(C2CC2)CC3)cc1
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| InChI |
InChI=1S/C20H23NO/c1-2-4-16(5-3-1)15-22-20-9-6-17-10-12-21(19-7-8-19)13-11-18(17)14-20/h1-6,9,14,19H,7-8,10-13,15H2
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| InChIKey |
JWBLLFNVFYWTPH-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