General Information of the Compound
| Compound ID |
CP0919412
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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)methanesulfonamide
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| Structure |
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| Formula |
C18H26N4O4S
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| Molecular Weight |
394.497
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| Canonical SMILES |
CS(=O)(=O)NCCN1CC2CN(CCOc3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C18H26N4O4S/c1-27(23,24)20-6-7-21-11-17-13-22(14-18(12-21)26-17)8-9-25-16-4-2-15(10-19)3-5-16/h2-5,17-18,20H,6-9,11-14H2,1H3
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| InChIKey |
YIRDXIKHDISCGJ-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