General Information of the Compound
| Compound ID |
CP0859336
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| Compound Name |
(1R,2S,3S,5S)-2-fluoroethyl 3-(3-((E)-2-iodovinyl)phenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C18H21FINO2
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| Molecular Weight |
429.273
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| Canonical SMILES |
O=C(OCCF)[C@H]1[C@@H](c2cccc(/C=C/I)c2)C[C@@H]2CC[C@H]1N2
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| InChI |
InChI=1S/C18H21FINO2/c19-7-9-23-18(22)17-15(11-14-4-5-16(17)21-14)13-3-1-2-12(10-13)6-8-20/h1-3,6,8,10,14-17,21H,4-5,7,9,11H2/b8-6+/t14-,15+,16+,17-/m0/s1
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| InChIKey |
MBCIBUXZJAIISR-UEBMMIFQSA-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