General Information of the Compound
| Compound ID |
CP0954041
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| Compound Name |
[18F]-N-(((1R,2R,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl)-3-fluoro-N-methylpropan-1-amine
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| Structure |
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| Formula |
C19H28ClFN2
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| Molecular Weight |
337.900938
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| Canonical SMILES |
CN(CCC[18F])C[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C
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| InChI |
InChI=1S/C19H28ClFN2/c1-22(11-3-10-21)13-18-17(14-4-6-15(20)7-5-14)12-16-8-9-19(18)23(16)2/h4-7,16-19H,3,8-13H2,1-2H3/t16-,17+,18-,19+/m0/s1/i21-1
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| InChIKey |
JZIHRSHQGGBQMD-QUIJITIRSA-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