General Information of the Compound
| Compound ID |
CP0847426
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| Compound Name |
N-[2-(7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C21H26FN3O3S
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| Molecular Weight |
419.522
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| Canonical SMILES |
O=S(=O)(NCCN1CC2CN(Cc3ccccc3)CC(C1)O2)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H26FN3O3S/c22-18-6-8-21(9-7-18)29(26,27)23-10-11-24-13-19-15-25(16-20(14-24)28-19)12-17-4-2-1-3-5-17/h1-9,19-20,23H,10-16H2
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| InChIKey |
WRYJODWAZQEDTO-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