General Information of the Compound
| Compound ID |
CP0636721
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| Compound Name |
rac-exo-[6-(2-(5-Carboxamidopyridin-3-yl)phenoxy))]-3-azabicyclo[3.2.1]octane hydrochloride
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| Structure |
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| Formula |
C19H22ClN3O2
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| Molecular Weight |
359.857
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| Canonical SMILES |
Cl.NC(=O)c1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1
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| InChI |
InChI=1S/C19H21N3O2.ClH/c20-19(23)15-7-13(9-22-11-15)16-3-1-2-4-17(16)24-18-6-12-5-14(18)10-21-8-12;/h1-4,7,9,11-12,14,18,21H,5-6,8,10H2,(H2,20,23);1H/t12-,14-,18+;/m1./s1
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| InChIKey |
KWNYBMLEHRLLBS-MWFUWWJRSA-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