General Information of the Compound
| Compound ID |
CP0881038
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| Compound Name |
N-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)-N-(4-iodobenzyl)-N-methylethanaminium 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 |
CC[N+](C)(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(I)cc1.[I-]
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| InChI |
InChI=1S/C20H29IN.HI/c1-5-22(4,13-15-6-10-18(21)11-7-15)14-16-8-9-17-12-19(16)20(17,2)3;/h6-8,10-11,17,19H,5,9,12-14H2,1-4H3;1H/q+1;/p-1/t17-,19-,22?;/m0./s1
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| InChIKey |
NEKLLCXCFSEDKW-JTHWGKKKSA-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