General Information of the Compound
| Compound ID |
CP0360494
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| Compound Name |
7-((6-(4-fluorophenoxy)pyridin-3-ylsulfonyl)methyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C22H21FN2O3S
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| Molecular Weight |
412.486
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| Canonical SMILES |
Fc1ccc(Oc2ccc(cn2)S(=O)(=O)Cc2ccc3CCNCCc3c2)cc1
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| InChI |
InChI=1S/C22H21FN2O3S/c23-19-3-5-20(6-4-19)28-22-8-7-21(14-25-22)29(26,27)15-16-1-2-17-9-11-24-12-10-18(17)13-16/h1-8,13-14,24H,9-12,15H2
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| InChIKey |
KUANGLIYWBBCGA-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