General Information of the Compound
| Compound ID |
CP0878658
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| Compound Name |
(1R,2S,3S,5S)-methyl 8-((E)-3-iodoallyl)-3-(4-isopropylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C21H28INO2
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| Molecular Weight |
453.364
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| Canonical SMILES |
COC(=O)[C@H]1[C@@H](c2ccc(C(C)C)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I
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| InChI |
InChI=1S/C21H28INO2/c1-14(2)15-5-7-16(8-6-15)18-13-17-9-10-19(20(18)21(24)25-3)23(17)12-4-11-22/h4-8,11,14,17-20H,9-10,12-13H2,1-3H3/b11-4+/t17-,18+,19+,20-/m0/s1
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| InChIKey |
IFHWCFRFKGCQMZ-GFDGQIBGSA-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