General Information of the Compound
| Compound ID |
CP0921074
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| Compound Name |
4-cyano-N-{2-[7-(4-fluorobenzyl)-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl]ethyl}-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C23H27FN4O3S
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| Molecular Weight |
458.559
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| Canonical SMILES |
CN(CCN1CC2CN(Cc3ccc(F)cc3)CC(C1)O2)S(=O)(=O)c1ccc(C#N)cc1
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| InChI |
InChI=1S/C23H27FN4O3S/c1-26(32(29,30)23-8-4-18(12-25)5-9-23)10-11-27-14-21-16-28(17-22(15-27)31-21)13-19-2-6-20(24)7-3-19/h2-9,21-22H,10-11,13-17H2,1H3
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| InChIKey |
ZELRGNLVCKCIDB-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