General Information of the Compound
| Compound ID |
CP0953130
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| Compound Name |
N-(2-{7-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)-2,4-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C23H26F2N4O4S
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| Molecular Weight |
492.548
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| Canonical SMILES |
N#Cc1ccc(OCCN2CC3CN(CCNS(=O)(=O)c4ccc(F)cc4F)CC(C2)O3)cc1
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| InChI |
InChI=1S/C23H26F2N4O4S/c24-18-3-6-23(22(25)11-18)34(30,31)27-7-8-28-13-20-15-29(16-21(14-28)33-20)9-10-32-19-4-1-17(12-26)2-5-19/h1-6,11,20-21,27H,7-10,13-16H2
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| InChIKey |
LJDGRKMMCUOYAA-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