General Information of the Compound
| Compound ID |
CP0953548
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| Compound Name |
N-{2-[7-(1-benzofuran-3-ylmethyl)-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl]ethyl}-4-cyanobenzenesulfonamide
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| Structure |
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| Formula |
C24H26N4O4S
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| Molecular Weight |
466.563
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(Cc4coc5ccccc45)CC(C2)O3)cc1
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| InChI |
InChI=1S/C24H26N4O4S/c25-11-18-5-7-22(8-6-18)33(29,30)26-9-10-27-13-20-15-28(16-21(14-27)32-20)12-19-17-31-24-4-2-1-3-23(19)24/h1-8,17,20-21,26H,9-10,12-16H2
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| InChIKey |
JKYRVIXUFLUELO-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