General Information of the Compound
| Compound ID |
CP0633372
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| Compound Name |
(1S,6R,5S)-[6-(2-(5-Methanesulfonylaminopyridin-3-yl)phenoxy))]-3-azabicyclo[3.2.1]octane hydrochloride
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| Structure |
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| Formula |
C19H24ClN3O3S
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| Molecular Weight |
409.939
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| Canonical SMILES |
CS(=O)(=O)Nc1cncc(-c2ccccc2O[C@@H]2C[C@H]3CNC[C@@H]2C3)c1.Cl
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| InChI |
InChI=1S/C19H23N3O3S.ClH/c1-26(23,24)22-16-8-14(10-21-12-16)17-4-2-3-5-18(17)25-19-7-13-6-15(19)11-20-9-13;/h2-5,8,10,12-13,15,19-20,22H,6-7,9,11H2,1H3;1H/t13-,15-,19+;/m0./s1
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| InChIKey |
SXZSRQKILFVFJA-MRJTXPEHSA-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