General Information of the Compound
| Compound ID |
CP0930732
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| Compound Name |
1-[2-(2-{2-[4-((8R,9R)-7,7-Dibutyl-2-dimethylamino-8-hydroxy-6-methyl-5,5-dioxo-6,7,8,9-tetrahydro-5H-5lambda*6*-thia-6-aza-benzocyclohepten-9-yl)-phenoxy]-ethoxy}-ethoxy)-ethyl]-pyridinium iodide
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| Structure |
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| Formula |
C37H54IN3O6S
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| Molecular Weight |
795.825
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| Canonical SMILES |
CCCCC1(CCCC)[C@H](O)[C@H](c2ccc(OCCOCCOCC[n+]3ccccc3)cc2)c2cc(N(C)C)ccc2S(=O)(=O)N1C.[I-]
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| InChI |
InChI=1S/C37H54N3O6S.HI/c1-6-8-19-37(20-9-7-2)36(41)35(33-29-31(38(3)4)15-18-34(33)47(42,43)39(37)5)30-13-16-32(17-14-30)46-28-27-45-26-25-44-24-23-40-21-11-10-12-22-40;/h10-18,21-22,29,35-36,41H,6-9,19-20,23-28H2,1-5H3;1H/q+1;/p-1/t35-,36-;/m1./s1
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| InChIKey |
KUYCSHYYQARLOR-OZBLHQGLSA-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