General Information of the Compound
| Compound ID |
CP0572957
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| Compound Name |
N1,N8-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)octanediamide
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| Structure |
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| Formula |
C56H76Cl4N6O12S2
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| Molecular Weight |
1231.2
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)CCCCCCC(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C56H76Cl4N6O12S2/c1-65-37-49(47-33-43(57)35-53(59)51(47)39-65)41-9-7-11-45(31-41)79(69,70)63-17-21-75-25-29-77-27-23-73-19-15-61-55(67)13-5-3-4-6-14-56(68)62-16-20-74-24-28-78-30-26-76-22-18-64-80(71,72)46-12-8-10-42(32-46)50-38-66(2)40-52-48(50)34-44(58)36-54(52)60/h7-12,31-36,49-50,63-64H,3-6,13-30,37-40H2,1-2H3,(H,61,67)(H,62,68)
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| InChIKey |
JKWUQUWBSOFKNX-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