General Information of the Compound
| Compound ID |
CP0880529
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| Compound Name |
2-[4-[1-(2-[18F]-fluoroethyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-phenoxymethyl]-quinoline
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| Structure |
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| Formula |
C26H21FN4O
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| Molecular Weight |
423.481938
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| Canonical SMILES |
[18F]CCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1
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| InChI |
InChI=1S/C26H21FN4O/c27-13-16-31-17-24(19-11-14-28-15-12-19)26(30-31)21-6-9-23(10-7-21)32-18-22-8-5-20-3-1-2-4-25(20)29-22/h1-12,14-15,17H,13,16,18H2/i27-1
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| InChIKey |
OKSASUFSNRSZFA-FMLNDMEQSA-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