General Information of the Compound
| Compound ID |
CP0921077
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| Compound Name |
N-[3-(7-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)propyl]-4-cyanobenzenesulfonamide
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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(S(=O)(=O)NCCCN2CC3CN(Cc4ccccc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C23H28N4O3S/c24-13-19-7-9-23(10-8-19)31(28,29)25-11-4-12-26-15-21-17-27(18-22(16-26)30-21)14-20-5-2-1-3-6-20/h1-3,5-10,21-22,25H,4,11-12,14-18H2
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| InChIKey |
YUVULFFHSSTSQF-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