General Information of the Compound
| Compound ID |
CP0853740
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| Compound Name |
(1R,2S,3S,5S)-methyl 3-(4-iodophenyl)-8-(2-methylbenzyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C23H26INO2
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| Molecular Weight |
475.37
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| Canonical SMILES |
COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2Cc1ccccc1C
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| InChI |
InChI=1S/C23H26INO2/c1-15-5-3-4-6-17(15)14-25-19-11-12-21(25)22(23(26)27-2)20(13-19)16-7-9-18(24)10-8-16/h3-10,19-22H,11-14H2,1-2H3/t19-,20+,21+,22-/m0/s1
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| InChIKey |
OZEKSHNBMDIPKA-CBPXPLCBSA-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