General Information of the Compound
| Compound ID |
CP0880858
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| Compound Name |
[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]-triethyl-ammonium iodide
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| Structure |
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| Formula |
C38H64IN3O6S
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| Molecular Weight |
817.916
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| Canonical SMILES |
CCCCC1(CCCC)[C@H](O)[C@H](c2ccc(OCCOCCOCC[N+](CC)(CC)CC)cc2)c2cc(N(C)C)ccc2S(=O)(=O)N1C.[I-]
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| InChI |
InChI=1S/C38H64N3O6S.HI/c1-9-14-22-38(23-15-10-2)37(42)36(34-30-32(39(6)7)18-21-35(34)48(43,44)40(38)8)31-16-19-33(20-17-31)47-29-28-46-27-26-45-25-24-41(11-3,12-4)13-5;/h16-21,30,36-37,42H,9-15,22-29H2,1-8H3;1H/q+1;/p-1/t36-,37-;/m1./s1
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| InChIKey |
GECNNFGTYHBXBF-OBKOODKPSA-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