General Information of the Compound
| Compound ID |
CP0967274
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| Compound Name |
4-fluoro-N-(2-{7-[2-(4-fluorophenyl)ethyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C22H27F2N3O3S
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| Molecular Weight |
451.539
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| Canonical SMILES |
O=S(=O)(NCCN1CC2CN(CCc3ccc(F)cc3)CC(C1)O2)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H27F2N3O3S/c23-18-3-1-17(2-4-18)9-11-26-13-20-15-27(16-21(14-26)30-20)12-10-25-31(28,29)22-7-5-19(24)6-8-22/h1-8,20-21,25H,9-16H2
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| InChIKey |
XODKOLJPPGQYSQ-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