General Information of the Compound
| Compound ID |
CP0488174
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| Compound Name |
1-[(1E)-cycloocten-1-yl]-N-[(4-iodophenyl)methyl]-N-methylmethanamine
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| Structure |
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| Formula |
C17H24IN
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| Molecular Weight |
369.29
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| Canonical SMILES |
CN(Cc1ccc(I)cc1)C\C1=C\CCCCCC1
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| InChI |
InChI=1S/C17H24IN/c1-19(14-16-9-11-17(18)12-10-16)13-15-7-5-3-2-4-6-8-15/h7,9-12H,2-6,8,13-14H2,1H3/b15-7+
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| InChIKey |
MEBVDVKSUCNCRJ-VIZOYTHASA-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