General Information of the Compound
| Compound ID |
CP0231349
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| Compound Name |
7-(phenylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C16H17NO2S
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| Molecular Weight |
287.384
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| Canonical SMILES |
O=S(=O)(c1ccccc1)c1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C16H17NO2S/c18-20(19,15-4-2-1-3-5-15)16-7-6-13-8-10-17-11-9-14(13)12-16/h1-7,12,17H,8-11H2
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| InChIKey |
MXLYGGPBHQMGJW-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