General Information of the Compound
| Compound ID |
CP0423183
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| Compound Name |
7-(3-fluorophenylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C16H16FNO2S
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| Molecular Weight |
305.374
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| Canonical SMILES |
Fc1cccc(c1)S(=O)(=O)c1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C16H16FNO2S/c17-14-2-1-3-15(11-14)21(19,20)16-5-4-12-6-8-18-9-7-13(12)10-16/h1-5,10-11,18H,6-9H2
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| InChIKey |
BOAOVVFZDJYTIC-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