General Information of the Compound
| Compound ID |
CP0012945
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| Compound Name |
3-[[(2R)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
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| Structure |
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| Formula |
C15H20N2O
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| Molecular Weight |
244.338
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| Canonical SMILES |
CCCCC#Cc1cncc(OC[C@H]2CCN2)c1
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| InChI |
InChI=1S/C15H20N2O/c1-2-3-4-5-6-13-9-15(11-16-10-13)18-12-14-7-8-17-14/h9-11,14,17H,2-4,7-8,12H2,1H3/t14-/m1/s1
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| InChIKey |
VXRANFSOUCNARC-CQSZACIVSA-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