General Information of the Compound
| Compound ID |
CP0554807
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| Compound Name |
2-(1-adamantyl)-N-[(4-iodophenyl)methyl]-N-methylethanamine
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| Structure |
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| Formula |
C20H28IN
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| Molecular Weight |
409.355
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| Canonical SMILES |
CN(CCC12CC3CC(CC(C3)C1)C2)Cc1ccc(I)cc1
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| InChI |
InChI=1S/C20H28IN/c1-22(14-15-2-4-19(21)5-3-15)7-6-20-11-16-8-17(12-20)10-18(9-16)13-20/h2-5,16-18H,6-14H2,1H3
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| InChIKey |
ZIOSNLAOJRUKMN-UHFFFAOYSA-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