General Information of the Compound
Compound ID |
CP0499404
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Compound Name |
1-(2-adamantyl)-N-[(4-iodophenyl)methyl]methanamine
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Structure |
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Formula |
C18H24IN
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Molecular Weight |
381.301
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Canonical SMILES |
Ic1ccc(CNCC2C3CC4CC(C3)CC2C4)cc1
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InChI |
InChI=1S/C18H24IN/c19-17-3-1-12(2-4-17)10-20-11-18-15-6-13-5-14(8-15)9-16(18)7-13/h1-4,13-16,18,20H,5-11H2
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InChIKey |
AIBMIAMAEIKRTM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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