General Information of the Compound
| Compound ID |
CP0858391
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| Compound Name |
N-(2-(7-(4-cyanobenzyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethyl)-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C22H25FN4O3S
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| Molecular Weight |
444.532
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| Canonical SMILES |
N#Cc1ccc(CN2CC3CN(CCNS(=O)(=O)c4ccc(F)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C22H25FN4O3S/c23-19-5-7-22(8-6-19)31(28,29)25-9-10-26-13-20-15-27(16-21(14-26)30-20)12-18-3-1-17(11-24)2-4-18/h1-8,20-21,25H,9-10,12-16H2
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| InChIKey |
NIECGVKIKWVLNN-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