General Information of the Compound
| Compound ID |
CP0316170
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| Compound Name |
(E)-5-phenyl-1-tosyl-2,3,4,7-tetrahydro-1H-azepine
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| Structure |
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| Formula |
C19H21NO2S
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| Molecular Weight |
327.449
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCCC(=CC1)c1ccccc1
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| InChI |
InChI=1S/C19H21NO2S/c1-16-9-11-19(12-10-16)23(21,22)20-14-5-8-18(13-15-20)17-6-3-2-4-7-17/h2-4,6-7,9-13H,5,8,14-15H2,1H3
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| InChIKey |
RUBNEOXAMIOXMS-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