General Information of the Compound
| Compound ID |
CP0460433
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| Compound Name |
4-(pyridin-3-yl)phenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
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| Structure |
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| Formula |
C19H21N3O2
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| Molecular Weight |
323.396
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| Canonical SMILES |
O=C(Oc1ccc(cc1)-c1cccnc1)N1CCN2CCC1CC2
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| InChI |
InChI=1S/C19H21N3O2/c23-19(22-13-12-21-10-7-17(22)8-11-21)24-18-5-3-15(4-6-18)16-2-1-9-20-14-16/h1-6,9,14,17H,7-8,10-13H2
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| InChIKey |
WXLWZHOKCOKCSK-UHFFFAOYSA-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