General Information of the Compound
| Compound ID |
CP0961110
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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}benzenesulfonamide
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| Structure |
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| Formula |
C22H25FN4O3S
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| Molecular Weight |
444.532
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(Cc4ccc(F)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C22H25FN4O3S/c23-19-5-1-18(2-6-19)12-27-15-20-13-26(14-21(16-27)30-20)10-9-25-31(28,29)22-7-3-17(11-24)4-8-22/h1-8,20-21,25H,9-10,12-16H2
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| InChIKey |
AXQFGWUGUCVEGW-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