General Information of the Compound
| Compound ID |
CP0062902
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| Compound Name |
7-((3',4'-difluorobiphenyl-4-ylsulfonyl)methyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C23H21F2NO2S
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| Molecular Weight |
413.489
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| Canonical SMILES |
Fc1ccc(cc1F)-c1ccc(cc1)S(=O)(=O)Cc1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C23H21F2NO2S/c24-22-8-5-19(14-23(22)25)17-3-6-21(7-4-17)29(27,28)15-16-1-2-18-9-11-26-12-10-20(18)13-16/h1-8,13-14,26H,9-12,15H2
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| InChIKey |
JYOJZLONKKFYQN-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