General Information of the Compound
| Compound ID |
CP0853423
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| Compound Name |
3-benzyl-7-(benzyloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C24H25NO
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| Molecular Weight |
343.47
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| Canonical SMILES |
c1ccc(COc2ccc3c(c2)CCN(Cc2ccccc2)CC3)cc1
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| InChI |
InChI=1S/C24H25NO/c1-3-7-20(8-4-1)18-25-15-13-22-11-12-24(17-23(22)14-16-25)26-19-21-9-5-2-6-10-21/h1-12,17H,13-16,18-19H2
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| InChIKey |
VVUUNMWXRIBMQT-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