General Information of the Compound
| Compound ID |
CP0852265
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| Compound Name |
N-(4-Iodobenzyl)-N,N-dimethyl-2-adamantylmethanaminium iodide
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| Structure |
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| Formula |
C20H29I2N
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| Molecular Weight |
537.267
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| Canonical SMILES |
C[N+](C)(Cc1ccc(I)cc1)CC1C2CC3CC(C2)CC1C3.[I-]
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| InChI |
InChI=1S/C20H29IN.HI/c1-22(2,12-14-3-5-19(21)6-4-14)13-20-17-8-15-7-16(10-17)11-18(20)9-15;/h3-6,15-18,20H,7-13H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
KMGCOFGVPVQZIQ-UHFFFAOYSA-M
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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