General Information of the Compound
| Compound ID |
CP0864369
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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-[4-(trifluoromethyl)phenyl]methane-sulfonamide
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| Structure |
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| Formula |
C25H29F3N4O4S
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| Molecular Weight |
538.592
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| Canonical SMILES |
N#Cc1ccc(OCCN2CC3CN(CCNS(=O)(=O)Cc4ccc(C(F)(F)F)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C25H29F3N4O4S/c26-25(27,28)21-5-1-20(2-6-21)18-37(33,34)30-9-10-31-14-23-16-32(17-24(15-31)36-23)11-12-35-22-7-3-19(13-29)4-8-22/h1-8,23-24,30H,9-12,14-18H2
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| InChIKey |
MCODZZYFXQXFMC-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