General Information of the Compound
| Compound ID |
CP0633373
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| Compound Name |
rac-exo-[6-(2-(5-Ethanesulfonylaminopyridin-3-yl)phenoxy))]-3-azabicyclo[3.2.1]octane hydrochloride
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| Structure |
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| Formula |
C20H26ClN3O3S
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| Molecular Weight |
423.966
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| Canonical SMILES |
CCS(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1.Cl
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| InChI |
InChI=1S/C20H25N3O3S.ClH/c1-2-27(24,25)23-17-9-15(11-22-13-17)18-5-3-4-6-19(18)26-20-8-14-7-16(20)12-21-10-14;/h3-6,9,11,13-14,16,20-21,23H,2,7-8,10,12H2,1H3;1H/t14-,16-,20+;/m1./s1
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| InChIKey |
HNTIFMRMFATWMA-XLTSPECSSA-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