General Information of the Compound
| Compound ID |
CP0864368
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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-phenylmethanesulfonamide
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| Structure |
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| Formula |
C24H30N4O4S
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| Molecular Weight |
470.595
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| Canonical SMILES |
N#Cc1ccc(OCCN2CC3CN(CCNS(=O)(=O)Cc4ccccc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C24H30N4O4S/c25-14-20-6-8-22(9-7-20)31-13-12-28-17-23-15-27(16-24(18-28)32-23)11-10-26-33(29,30)19-21-4-2-1-3-5-21/h1-9,23-24,26H,10-13,15-19H2
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| InChIKey |
UEQXFWJTIUWOKP-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