General Information of the Compound
| Compound ID |
CP0636724
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| Compound Name |
rac-exo-[6-(2-(5-(2-Propane)sulfonylaminopyridin-3-yl)phenoxy))]-3-azabicyclo[3.2.1]octane hydrochloride
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| Structure |
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| Formula |
C21H28ClN3O3S
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| Molecular Weight |
437.993
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| Canonical SMILES |
CC(C)S(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1.Cl
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| InChI |
InChI=1S/C21H27N3O3S.ClH/c1-14(2)28(25,26)24-18-9-16(11-23-13-18)19-5-3-4-6-20(19)27-21-8-15-7-17(21)12-22-10-15;/h3-6,9,11,13-15,17,21-22,24H,7-8,10,12H2,1-2H3;1H/t15-,17-,21+;/m1./s1
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| InChIKey |
PRUHTXZSRUBPQB-VJAIENPXSA-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