General Information of the Compound
| Compound ID |
CP0858239
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| Compound Name |
(1R,2S,3S,5S)-methyl 3-(3-iodo-4-methylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C17H22INO2
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| Molecular Weight |
399.272
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| Canonical SMILES |
COC(=O)[C@H]1[C@@H](c2ccc(C)c(I)c2)C[C@@H]2CC[C@H]1N2C
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| InChI |
InChI=1S/C17H22INO2/c1-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19(12)2)16(13)17(20)21-3/h4-5,8,12-13,15-16H,6-7,9H2,1-3H3/t12-,13+,15+,16-/m0/s1
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| InChIKey |
ZILVUMKQTCCDKV-XNISGKROSA-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