General Information of the Compound
| Compound ID |
CP0953126
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| Compound Name |
N-(2-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)-2-(trifluoromethoxy)benzenesulfonamide
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| Structure |
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| Formula |
C25H29F3N4O5S
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| Molecular Weight |
554.591
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| Canonical SMILES |
N#Cc1ccc(OCCCN2CC3CN(CCNS(=O)(=O)c4ccccc4OC(F)(F)F)CC(C2)O3)cc1
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| InChI |
InChI=1S/C25H29F3N4O5S/c26-25(27,28)37-23-4-1-2-5-24(23)38(33,34)30-10-12-32-17-21-15-31(16-22(18-32)36-21)11-3-13-35-20-8-6-19(14-29)7-9-20/h1-2,4-9,21-22,30H,3,10-13,15-18H2
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| InChIKey |
PJTLWZUBYZZRDF-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