General Information of the Compound
| Compound ID |
CP0919259
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| Compound Name |
(1R,2S,3S,5S)-methyl 3-(4-iodophenyl)-8-(prop-2-ynyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C18H20INO2
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| Molecular Weight |
409.267
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| Canonical SMILES |
C#CCN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(I)cc1)C2
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| InChI |
InChI=1S/C18H20INO2/c1-3-10-20-14-8-9-16(20)17(18(21)22-2)15(11-14)12-4-6-13(19)7-5-12/h1,4-7,14-17H,8-11H2,2H3/t14-,15+,16+,17-/m0/s1
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| InChIKey |
JNVOFPVDNOCHFN-HZMVEIRTSA-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