General Information of the Compound
| Compound ID |
CP0002026
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| Compound Name |
3-[[(2S)-azetidin-2-yl]methoxy]-5-(2-phenylethynyl)pyridine
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| Structure |
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| Formula |
C17H16N2O
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| Molecular Weight |
264.328
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| Canonical SMILES |
C(Oc1cncc(c1)C#Cc1ccccc1)[C@@H]1CCN1
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| InChI |
InChI=1S/C17H16N2O/c1-2-4-14(5-3-1)6-7-15-10-17(12-18-11-15)20-13-16-8-9-19-16/h1-5,10-12,16,19H,8-9,13H2/t16-/m0/s1
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| InChIKey |
WPVQUWLESAWSRM-INIZCTEOSA-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