General Information of the Compound
| Compound ID |
CP0635884
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| Compound Name |
(1S,6R,5S)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]-3-azabicyclo[3.2.1]octane hydrochloride
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| Structure |
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| Formula |
C18H21ClN2O2
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| Molecular Weight |
332.831
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| Canonical SMILES |
Cl.Oc1cncc(-c2ccccc2O[C@@H]2C[C@H]3CNC[C@@H]2C3)c1
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| InChI |
InChI=1S/C18H20N2O2.ClH/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12;/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2;1H/t12-,14-,18+;/m0./s1
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| InChIKey |
ZXSGKRAOSPDEGR-NELCBFAWSA-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