General Information of the Compound
| Compound ID |
CP0862741
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| Compound Name |
N-{2-[7-(4-cyanobenzyl)-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl}-1-phenylmethanesulfonamide
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| Structure |
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| Formula |
C23H28N4O3S
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| Molecular Weight |
440.569
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| Canonical SMILES |
N#Cc1ccc(CN2CC3CN(CCNS(=O)(=O)Cc4ccccc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C23H28N4O3S/c24-12-19-6-8-20(9-7-19)13-27-16-22-14-26(15-23(17-27)30-22)11-10-25-31(28,29)18-21-4-2-1-3-5-21/h1-9,22-23,25H,10-11,13-18H2
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| InChIKey |
OOPOYODXWVTCHK-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