General Information of the Compound
| Compound ID |
CP0847427
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| Compound Name |
N-(2-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)propane-2-sulfonamide
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| Structure |
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| Formula |
C21H32N4O4S
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| Molecular Weight |
436.578
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| Canonical SMILES |
CC(C)S(=O)(=O)NCCN1CC2CN(CCCOc3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C21H32N4O4S/c1-17(2)30(26,27)23-8-10-25-15-20-13-24(14-21(16-25)29-20)9-3-11-28-19-6-4-18(12-22)5-7-19/h4-7,17,20-21,23H,3,8-11,13-16H2,1-2H3
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| InChIKey |
QHCMTLXVYCXROC-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