General Information of the Compound
| Compound ID |
CP0576727
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| Compound Name |
N,N′-(1,1′-(1,4-phenylenebis(azanediyl))bis(1-oxo-5,8,11-trioxa-2-azatridecane-13,1-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 |
C56H70Cl4N8O12S2
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| Molecular Weight |
1253.166
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)Nc2ccc(NC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(c3)C3CN(C)Cc4c(Cl)cc(Cl)cc34)cc2)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C56H70Cl4N8O12S2/c1-67-35-49(47-31-41(57)33-53(59)51(47)37-67)39-5-3-7-45(29-39)81(71,72)63-15-19-77-23-27-79-25-21-75-17-13-61-55(69)65-43-9-11-44(12-10-43)66-56(70)62-14-18-76-22-26-80-28-24-78-20-16-64-82(73,74)46-8-4-6-40(30-46)50-36-68(2)38-52-48(50)32-42(58)34-54(52)60/h3-12,29-34,49-50,63-64H,13-28,35-38H2,1-2H3,(H2,61,65,69)(H2,62,66,70)
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| InChIKey |
SGLYPVFGKAWJET-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