General Information of the Compound
| Compound ID |
CP0885514
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| Compound Name |
Endo/exo-N-(4-iodobenzyl)-N,N-dimethyl-1-((1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)methanaminium iodide
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| Structure |
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| Formula |
C20H31I2N
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| Molecular Weight |
539.283
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| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(C)C(C[N+](C)(C)Cc1ccc(I)cc1)C2.[I-]
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| InChI |
InChI=1S/C20H31IN.HI/c1-19(2)16-10-11-20(19,3)17(12-16)14-22(4,5)13-15-6-8-18(21)9-7-15;/h6-9,16-17H,10-14H2,1-5H3;1H/q+1;/p-1/t16-,17?,20+;/m1./s1
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| InChIKey |
RRXSGAMFZLBULK-ZIZJZCHASA-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