General Information of the Compound
| Compound ID |
CP0957843
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| Compound Name |
N,N'-(2,2'-(2,2'-(2,2'-(1,4-phenylenebis(methylene))tobis(azanediyl)bis(ethane-2,1-diyl))bis(oxy)bis(ethane-2,1-diyl))bis(oxy)bis(ethane-2,1-diyl))bis(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzenesulfonamide)
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| Structure |
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| Formula |
C52H64Cl4N6O8S2
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| Molecular Weight |
1107.064
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNCc3ccc(CNCCOCCOCCNS(=O)(=O)c4cccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)c4)cc3)c2)C1
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| InChI |
InChI=1S/C52H64Cl4N6O8S2/c1-61-33-47(45-27-41(53)29-51(55)49(45)35-61)39-5-3-7-43(25-39)71(63,64)59-15-19-69-23-21-67-17-13-57-31-37-9-11-38(12-10-37)32-58-14-18-68-22-24-70-20-16-60-72(65,66)44-8-4-6-40(26-44)48-34-62(2)36-50-46(48)28-42(54)30-52(50)56/h3-12,25-30,47-48,57-60H,13-24,31-36H2,1-2H3
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| InChIKey |
GHJHYXXAHHUUAG-UHFFFAOYSA-N
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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