General Information of the Compound
| Compound ID |
CP0967277
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| Compound Name |
1-(3-chlorophenyl)-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 |
C23H27ClN4O4S
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| Molecular Weight |
491.013
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| Canonical SMILES |
N#Cc1ccc(OCCN2CC3CN(CCNS(=O)(=O)c4cccc(Cl)c4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C23H27ClN4O4S/c24-19-2-1-3-23(12-19)33(29,30)26-8-9-27-14-21-16-28(17-22(15-27)32-21)10-11-31-20-6-4-18(13-25)5-7-20/h1-7,12,21-22,26H,8-11,14-17H2
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| InChIKey |
DRFDSJXKOBBEAG-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