General Information of the Compound
| Compound ID |
CP0880838
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| Compound Name |
(1R,2S,3S,5S)-methyl 8-(2-bromoallyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C18H21BrINO2
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| Molecular Weight |
490.179
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| Canonical SMILES |
C=C(Br)CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OC)[C@@H](c1ccc(I)cc1)C2
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| InChI |
InChI=1S/C18H21BrINO2/c1-11(19)10-21-14-7-8-16(21)17(18(22)23-2)15(9-14)12-3-5-13(20)6-4-12/h3-6,14-17H,1,7-10H2,2H3/t14-,15+,16+,17-/m0/s1
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| InChIKey |
DLPVJOABBWHGLU-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