General Information of the Compound
| Compound ID |
CP0961108
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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)-1-methyl-1H-imidazole-4-sulfonamide
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| Structure |
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| Formula |
C21H28N6O4S
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| Molecular Weight |
460.56
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| Canonical SMILES |
Cn1cnc(S(=O)(=O)NCCN2CC3CN(CCOc4ccc(C#N)cc4)CC(C2)O3)c1
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| InChI |
InChI=1S/C21H28N6O4S/c1-25-15-21(23-16-25)32(28,29)24-6-7-26-11-19-13-27(14-20(12-26)31-19)8-9-30-18-4-2-17(10-22)3-5-18/h2-5,15-16,19-20,24H,6-9,11-14H2,1H3
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| InChIKey |
WJXJSOGBWAHNMS-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