General Information of the Compound
| Compound ID |
CP0000890
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| Compound Name |
3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyridine
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| Structure |
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| Formula |
C18H15F3N2O
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| Molecular Weight |
332.325
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1
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| InChI |
InChI=1S/C18H15F3N2O/c19-18(20,21)15-3-1-2-13(8-15)4-5-14-9-17(11-22-10-14)24-12-16-6-7-23-16/h1-3,8-11,16,23H,6-7,12H2/t16-/m0/s1
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| InChIKey |
AIARDFWQNXMLKK-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